SCHEMBL4740142

SCHEMBL4740142

Clc1cncc2sc(-c3ccccn3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
MAPT P10636 5/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
PKM P14618 2/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ICAM1 P05362 2/20 0.42
SELE P16581 2/20 0.42
VCAM1 P19320 2/20 0.42
MAPK14 Q16539 2/20 0.40
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
GRM5 P41594 1/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 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
SCHEMBL4735353 0.82 KDM4E (0.47) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL5312404 0.78 ICAM1 (0.46) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL12278284 0.74 KDM4E (0.57) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL5951075 0.74 KDM4E (0.52) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL4739007 0.72 KDM4E (0.49) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL31227040 0.71 KDM4E (0.52) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL13299935 0.71 KDM4E (0.61) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL27561482 0.70 KDM4E (0.55) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL5537255 0.70 KDM4E (0.50) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL403651 0.69 CYP19A1 (0.60) KDM4ENPC1RAB9AMAPTGLA

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
WO-2008086053-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-17 WO disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 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-20080161254-A1 HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 KDM4E 2397/4885NPC1 79/4885RAB9A 1815/4885

“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.