SCHEMBL4895640

SCHEMBL4895640

COc1ccc(NC(=O)CNC(=O)c2ccco2)c(C(=O)N2C[C@H](C)C[C@H](C)C2)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.47
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL4892536 0.88 ALDH1A1 (0.54) KDM4EHSD17B10ALDH1A1RAB9AMAPK1
SCHEMBL4898676 0.88 KDM4E (0.50) KDM4EHSD17B10ALDH1A1RAB9ANPC1
SCHEMBL4908582 0.84 ALDH1A1 (0.47) KDM4EALDH1A1RAB9A
SCHEMBL4908569 0.84 ALDH1A1 (0.47) KDM4EALDH1A1RAB9A
SCHEMBL4886273 0.81 KDM4E (0.46) KDM4EHSD17B10ALDH1A1RAB9ANPC1
SCHEMBL4886340 0.81 TSHR (0.51) ALDH1A1NPC1TSHRKMT2APOLB
SCHEMBL14087771 0.79 KMT2A (0.49) KDM4EHSD17B10ALDH1A1RAB9ANPC1
SCHEMBL4893712 0.78 MEN1 (0.45) KDM4EALDH1A1MAPK1KMT2APOLB
SCHEMBL4889525 0.75 SMN1; SMN2 (0.44) ALDH1A1RAB9AMAPK1TSHR
SCHEMBL4883902 0.75 KDM4E (0.46) KDM4EHSD17B10ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008098859-A1 HCV POLYMERASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-21 WO disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 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 (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-20080200512-A1 Hepatitis C virus polymerase inhibitors SSU72, POLR2H, POLR2E KDM4E 2519/4885HSD17B10 240/4885ALDH1A1 276/4885

“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.