SCHEMBL2321187

SCHEMBL2321187

CNC(=O)C1(c2ccc(C#N)cc2)CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.45
HDAC1 Q13547 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CTSC P53634 1/20 0.43
KCNH2 Q12809 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43

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
SCHEMBL2329004 0.82 HDAC1 (0.61) ALDH1A1LMNAHDAC1HDAC3HDAC7
SCHEMBL13448742 0.81 ALDH1A1 (0.51) ALDH1A1LMNAHDAC1HDAC3HDAC7
SCHEMBL16424141 0.81 HDAC1 (0.59) ALDH1A1LMNAHDAC1HDAC3HDAC7
SCHEMBL25460813 0.81 HDAC4 (0.54) ALDH1A1LMNAHDAC1HDAC3HDAC7
SCHEMBL25460862 0.80 ALDH1A1 (0.70) ALDH1A1LMNAHDAC1USP2TSHR
SCHEMBL2326632 0.80 TSHR (0.40) ALDH1A1LMNAUSP2TSHRHSD17B10
SCHEMBL2326102 0.77 OPRM1 (0.51) ALDH1A1LMNATSHRCYP2C19KCNH2
SCHEMBL13363482 0.77 HDAC1 (0.47) ALDH1A1LMNAHDAC1HDAC3HDAC7
SCHEMBL2320991 0.77 HDAC1 (0.47) ALDH1A1LMNAHDAC1HDAC3HDAC7
SCHEMBL2320986 0.77 HDAC1 (0.47) ALDH1A1LMNAHDAC1HDAC3HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
EP-2356112-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 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 (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-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS HIF1AN, HIF1A, VHL ALDH1A1 604/4885LMNA 2316/4885HDAC1 346/4885

“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.