SCHEMBL444604

SCHEMBL444604

NC(=O)C1CNc2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 4/20 0.36
MAPT P10636 6/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOS2 P35228 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SIRT1 Q96EB6 2/20 0.34
HTR2B P41595 2/20 0.34
KCNH2 Q12809 1/20 0.34
HSD17B10 Q99714 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrazine SCHEMBL27885781 0.85 ALDH1A1 (0.43) LMNATSHRKMT2AMAPTKDM4E
SCHEMBL3830913 0.85 ALDH1A1 (0.45) LMNATSHRKMT2AMAPTKDM4E
SCHEMBL16772300 0.83 MTNR1A (0.38) LMNATSHRKMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL9046996 0.83 ALDH1A1 (0.44) LMNATSHRKMT2AMAPTKDM4E
SCHEMBL1071512 0.82 MAPT (0.50) LMNATSHRKMT2AMAPTKDM4E
SCHEMBL8566125 0.80 BACE1 (0.39) LMNATSHRMAPTKDM4EALDH1A1
SCHEMBL8566128 0.80 BACE1 (0.39) LMNATSHRMAPTKDM4EALDH1A1
SCHEMBL8566129 0.80 BACE1 (0.39) LMNATSHRMAPTKDM4EALDH1A1
SCHEMBL859610 0.77 KCNH2 (0.44) ALDH1A1SIRT1KCNH2MTNR1AMTNR1B
SCHEMBL29892593 0.77 KCNH2 (0.44) ALDH1A1SIRT1KCNH2MTNR1AMTNR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384172-A Solid forms of N- [2, 4-bis (1, 1-dimethylethyl) -5-hydroxyphenyl ] -1, 4-dihydro-4-oxoquinoline-3-carboxamide VERTEX PHARMA (US) 2009-03-11 CN claimed
JP-2002522388-A 2002-07-23 JP claimed
EP-1107759-A1 PYRIDINONES FOR THE TREATMENT OF SEXUAL DYSFUNCTION Basf Corporation (US) 2001-06-20 EP claimed
WO-2000007595-A1 PYRIDINONES FOR THE TREATMENT OF SEXUAL DYSFUNCTION BASF CORPORATION (US) 2000-02-17 WO claimed
US-20260034064-A1 COMPOSITIONS FOR THE TREATMENT OF CFTR-MEDIATED DISEASES VERTEX PHARMA (US) 2026-02-05 US disclosed
US-12458635-B2 Pharmaceutical composition and administrations thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-11-04 US disclosed
US-20250255819-A1 PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF VERTEX PHARMA (US) 2025-08-14 US disclosed
US-12214083-B2 Pharmaceutical composition and administrations thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-02-04 US disclosed
US-20240156738-A1 PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-05-16 US disclosed
US-11752106-B2 Pharmaceutical composition and administrations thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-09-12 US disclosed
US-20230210839-A1 PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-06 US disclosed
US-11564916-B2 Pharmaceutical composition and administrations thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-01-31 US disclosed
US-20120064157-A1 PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
WO-2011019413-A1 PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-17 WO disclosed
US-20100256184-A1 PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 US disclosed
US-20100074949-A1 Pharmaceutical composition and administration thereof VERTEX PHARMACEUTICALS INCORPORATED 2010-03-25 US disclosed
CN-101384172-A Solid forms of N- [2, 4-bis (1, 1-dimethylethyl) -5-hydroxyphenyl ] -1, 4-dihydro-4-oxoquinoline-3-carboxamide VERTEX PHARMA (US) 2009-03-11 CN disclosed
EP-1107759-A1 PYRIDINONES FOR THE TREATMENT OF SEXUAL DYSFUNCTION Basf Corporation (US) 2001-06-20 EP disclosed
WO-2000007595-A1 PYRIDINONES FOR THE TREATMENT OF SEXUAL DYSFUNCTION BASF CORPORATION (US) 2000-02-17 WO disclosed
US-5096901-A PHARMACOLOGICALLY ACTIVE AMIDES AND ESTERS CONTAINING AN AZABICYCLOALKANE MOIETY JOHN WYETH & BROTHER LIMITED (GB) 1992-03-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12214083-B2 Pharmaceutical composition and administrations thereof CFTR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KCNQ5 LMNA 2477/4885TSHR 4717/4885KMT2A 595/4885
US-20100256184-A1 PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF CYP3A5, CYP4B1, CYP3A4 LMNA 2332/4885TSHR 4765/4885KMT2A 523/4885
US-12458635-B2 Pharmaceutical composition and administrations thereof CYP3A5, CYP4B1, CYP3A4 LMNA 2332/4885TSHR 4765/4885KMT2A 523/4885
US-20240156738-A1 PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF CFTR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KCNQ5 LMNA 2477/4885TSHR 4717/4885KMT2A 595/4885
US-20100074949-A1 Pharmaceutical composition and administration thereof CYP3A5, CYP3A4, CYP4B1 LMNA 1865/4885TSHR 4754/4885KMT2A 434/4885
US-11752106-B2 Pharmaceutical composition and administrations thereof CFTR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KCNQ5 LMNA 2477/4885TSHR 4717/4885KMT2A 595/4885
US-20230210839-A1 PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF CYP3A5, CYP4B1, CYP3A4 LMNA 2332/4885TSHR 4765/4885KMT2A 523/4885
US-20250255819-A1 PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF CFTR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KCNQ5 LMNA 2477/4885TSHR 4717/4885KMT2A 595/4885
US-20260034064-A1 COMPOSITIONS FOR THE TREATMENT OF CFTR-MEDIATED DISEASES CFTR, ABCC2, ABCC8 LMNA 2240/4885TSHR 2037/4885KMT2A 1937/4885
US-20120064157-A1 PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF CFTR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KCNQ5 LMNA 2446/4885TSHR 4698/4885KMT2A 564/4885
US-11564916-B2 Pharmaceutical composition and administrations thereof CYP3A5, CYP4B1, CYP3A4 LMNA 2332/4885TSHR 4765/4885KMT2A 523/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.