SCHEMBL10271980

SCHEMBL10271980

COc1ccc(C2CSC(C)=N2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
GFER P55789 1/20 0.38
ACHE P22303 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADRA1A P35348 1/20 0.37
MAP2K1 Q02750 1/20 0.37

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
SCHEMBL6254714 0.81 KDM1A (0.47) KDM1AMAOAMAOBALDH1A1RAB9A
SCHEMBL6258048 0.81 KDM1A (0.47) KDM1AMAOAMAOBALDH1A1RAB9A
SCHEMBL12432989 0.81 ADRA1A (0.45) KDM1AALDH1A1NPC1ACHEGAA
Hydrochloric Acid SCHEMBL7564142 0.80 KDM1A (0.49) KDM1AMAOAMAOBALDH1A1RAB9A
SCHEMBL12432889 0.75 CYP2A6 (0.39) KDM1AALDH1A1RAB9ANPC1GAA
SCHEMBL6976200 0.74 MAOA (0.37) KDM1AMAOAMAOBALDH1A1RAB9A
Oxalic Acid SCHEMBL7569162 0.74 KDM1A (0.41) KDM1AMAOAMAOBALDH1A1RAB9A
SCHEMBL7569169 0.72 RAB9A (0.38) KDM1AMAOAMAOBALDH1A1RAB9A
SCHEMBL6308763 0.70 KDM1A (0.53) KDM1AMAOAMAOBALDH1A1RAB9A
SCHEMBL7109309 0.70 KDM1A (0.38) KDM1AMAOAMAOBALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
EP-1996180-B1 BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-08-03 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 (1 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-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KDM1A 2660/4885MAOA 208/4885MAOB 249/4885

“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.