SCHEMBL1855486

SCHEMBL1855486

COc1ccc(C(=O)CC#N)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.57
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GRIN2B Q13224 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
OXTR P30559 1/20 0.40
ACACB O00763 2/20 0.40
GPR183 P32249 2/20 0.39
SLC18A3 Q16572 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GABRA1 P14867 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL14160308 0.81 NNMT (0.49) NNMTMKNK1MKNK2MAPTMEN1
SCHEMBL2186062 0.80 NNMT (0.64) NNMTMKNK1MKNK2MAPTMEN1
SCHEMBL30543017 0.80 NNMT (0.64) NNMTMKNK1MKNK2MAPTMEN1
SCHEMBL18638749 0.80 NNMT (0.47) NNMTMKNK1MKNK2MAPTMEN1
SCHEMBL23953719 0.79 GSK3B (0.36) MAPTMEN1KMT2AKDM4ENPC1
Hydrochloric Acid SCHEMBL30461874 0.79 NNMT (0.62) NNMTMKNK1MKNK2MAPTMEN1
SCHEMBL21741497 0.79 NNMT (0.62) NNMTMKNK1MKNK2MAPTMEN1
SCHEMBL29786256 0.79 NNMT (0.62) NNMTMKNK1MKNK2MAPTMEN1
SCHEMBL30074957 0.79 HDAC1 (0.50) MAPTKMT2AKDM4EGABRA1ALDH1A1
SCHEMBL1856776 0.79 HDAC1 (0.50) MAPTKMT2AKDM4EGABRA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207445-B Adenosine A3Modulators of receptors 帕罗生物制药有限公司 2021-03-16 CN disclosed
EP-2323988-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS Wyeth LLC (US) 2011-05-25 EP disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO disclosed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 WO 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 (2 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-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA NNMT 2090/4885MKNK1 2869/4885MKNK2 2881/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 NNMT 161/4885MKNK1 1429/4885MKNK2 1101/4885

“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.