SCHEMBL4744780

SCHEMBL4744780

CNOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
IDO1 P14902 1/20 0.48
TAAR1 Q96RJ0 3/20 0.46
SLC18A2 Q05940 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MAPT P10636 2/20 0.46
AGXT P21549 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
CALM1 P0DP23 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.44
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRAS P01112 1/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.41

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
Hydrochloric Acid SCHEMBL6477571 0.98 MAPT (0.50) TSHRNPC1RAB9AIDO1TAAR1
Hydrochloric Acid SCHEMBL6939134 0.88 AGXT (0.69) NPC1RAB9AIDO1AGXT
SCHEMBL538293 0.79 TSHR (0.57) TSHRNPC1RAB9AIDO1AGXT
Dimethylamine SCHEMBL7752537 0.77 TSHR (0.79) TSHRIDO1TAAR1MAPTAGXT
Hydrochloric Acid SCHEMBL11220071 0.77 TSHR (0.55) TSHRNPC1RAB9AIDO1MAPT
SCHEMBL8720456 0.76 TSHR (0.48) TSHRNPC1RAB9AIDO1MAPT
SCHEMBL1983662 0.76 HRAS (0.49) TSHRNPC1RAB9AIDO1SIGMAR1
SCHEMBL13248016 0.76 IDO1 (0.52) IDO1TAAR1AGXTALDH1A1LMNA
SCHEMBL18541671 0.76 TSHR (0.48) TSHRNPC1RAB9AIDO1MAPT
SCHEMBL1583521 0.76 LOXL2 (0.41) TSHRMAPTKDM4ECYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1434813-A Pyrrolidine derivatives cyclic AMP-specific phosphodiesterase inhibitors ICOS CONP (US) 2003-08-06 CN claimed
EP-0976760-B1 Oligopeptides with fungicidal activity ISAGRO SPA (IT) 2002-12-18 EP claimed
US-6084065-A FOR AGRICULTURAL USE ISAGRO SPA (IT) 2000-07-04 US claimed
EP-0652229-B1 Oligopeptides with fungicidal activity ISAGRO SPA (IT) 2000-05-24 EP claimed
EP-0976760-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 2000-02-02 EP claimed
EP-0652229-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 1995-05-10 EP claimed
US-20260069726-A1 ZWITTERIONIC COMPOUNDS AND USES THEREOF UNIV SASKATCHEWAN (CA) 2026-03-12 US disclosed
US-20250064789-A1 KETOAMIDE DERIVATIVES AND PHARMACEUTICAL USES THEREOF WESTVAC BIOPHARMA CO., LTD. (CN) 2025-02-27 US disclosed
WO-2025021997-A1 NEW MAP4K1 INHIBITORS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2025-01-30 WO disclosed
EP-4488264-A1 KETO AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF WestVac Biopharma Co., Ltd. (CN) 2025-01-08 EP disclosed
US-12098153-B2 Small molecule inhibitors targeting Clostridioides difficile sporulation UNIVERSITY OF SOUTH FLORIDA (US) 2024-09-24 US disclosed
CN-116693447-B Ketone amide derivative and pharmaceutical application thereof 成都威斯克生物医药有限公司 2024-08-13 CN disclosed
EP-4347032-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
WO-1996003983-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO disclosed
WO-1995014023-A1 SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1995-05-26 WO disclosed
EP-0652229-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 1995-05-10 EP disclosed
WO-1994026264-A1 (4-ALKOXYPYRAN-4-YL) SUBSTITUTED ARYLALKYLARYL-, ARYLALKENYLARYL-, AND ARYLALKYNYLARYLUREA INHIBITORS OF 5-LIPOXYGENASE ABBOTT LABORATORIES (US) 1994-11-24 WO disclosed
US-4906667-A Phenyl hydroxamic acids including a hetero-containing substituent E. R. SQUIBB & SONS, INC. (US) 1990-03-06 US disclosed
EP-0341694-A2 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1989-11-15 EP disclosed
EP-0082088-B1 DERIVATIVES OF AMINO ACIDS AND THEIR THERAPEUTIC USE Roques, Bernard (FR) 1986-04-02 EP 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 (3 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-20260069726-A1 ZWITTERIONIC COMPOUNDS AND USES THEREOF CA13, SLCO2B1, SLCO2A1 TSHR 388/4885NPC1 192/4885RAB9A 497/4885
US-20250064789-A1 KETOAMIDE DERIVATIVES AND PHARMACEUTICAL USES THEREOF ACE2, ACE, PKD2 TSHR 3558/4885NPC1 413/4885RAB9A 2965/4885
US-12098153-B2 Small molecule inhibitors targeting Clostridioides difficile sporulation SPOUT1, CLPP, RPN2 TSHR 4866/4885NPC1 863/4885RAB9A 2104/4885

“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.