SCHEMBL4983045

SCHEMBL4983045

CCSc1cc(C)nc(SCC)c1N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NOS3 P29474 2/20 0.36
NOS2 P35228 2/20 0.36
NOS1 P29475 1/20 0.36
LMNA P02545 2/20 0.35
HSP90AA1 P07900 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR6 P50406 1/20 0.35
AOC3 Q16853 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 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
SCHEMBL14093775 0.81 CYP1A2 (0.41) NPSR1GAAMAPTL3MBTL1CYP1A2
SCHEMBL4989105 0.71 SMN1; SMN2 (0.50) NPSR1GAAMAPTL3MBTL1CYP1A2
SCHEMBL48321 0.71 AOC3 (0.36) MAPTALDH1A1NOS3NOS2HSP90AA1
SCHEMBL4491895 0.71 KMT2A (0.43) NPSR1L3MBTL1KDM4EPKMALDH1A1
SCHEMBL8540338 0.69 AOC3 (0.38) NPSR1MAPTALDH1A1HSP90AA1AOC3
SCHEMBL8835034 0.68 AOC3 (0.35) MAPTKDM4EALDH1A1NOS3NOS2
SCHEMBL8133444 0.68 UHRF1 (0.50) NPSR1CYP1A2KDM4EPKMALDH1A1
SCHEMBL2390670 0.68 NOS3 (0.38) GAAMAPTNOS3NOS2HSP90AA1
SCHEMBL4985802 0.67 RXFP1 (0.40) NPSR1GAAMAPTL3MBTL1CYP1A2
SCHEMBL9179742 0.67 ALDH1A1 (0.36) MAPTALDH1A1LMNAHSP90AA1AOC3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414066-B2 Amide compounds and medications containing the same technical field KOWA COMPANY LTD. (JP) 2008-08-19 US disclosed
US-7393866-B2 Amide compounds and medications containing the same KOWA COMPANY, LTD. (JP) 2008-07-01 US disclosed
EP-0979823-B1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2006-03-29 EP disclosed
US-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 US disclosed
US-20050131001-A1 Novel amide compounds and medications containing the same technical field KOWA COMPANY LTD. (JP) 2005-06-16 US disclosed
US-20050131002-A1 Novel amide compounds and medications containing the same KOWA COMPANY LTD. (JP) 2005-06-16 US disclosed
US-6849647-B1 Amide compounds and medications containing the same technical field KOWA COMPANY, LTD. (JP) 2005-02-01 US disclosed
EP-0987254-B1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2004-12-22 EP disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 US disclosed
EP-0987254-A1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2000-03-22 EP disclosed
EP-0979823-A1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME Kowa Company Ltd. (JP) 2000-02-16 EP disclosed
US-5596001-A 4-aryl-3-(heteroarylureido)quinoline derivatves PFIZER INC. (US) 1997-01-21 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 (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-20050131001-A1 Novel amide compounds and medications containing the same technical field ACAT2, SULT2A1, ACAT1 NPSR1 195/4885GAA 1670/4885MAPT 1444/4885
US-20050131002-A1 Novel amide compounds and medications containing the same ACAT2, SULT2A1, ACAT1 NPSR1 150/4885GAA 1343/4885MAPT 930/4885
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 NPSR1 1536/4885GAA 988/4885MAPT 1164/4885

“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.