SCHEMBL462683

SCHEMBL462683

Cc1cc(C2CCCCC2)n2nc(-c3cccc(Cl)c3)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
MAPT P10636 3/20 0.48
HPGD P15428 7/20 0.48
NPSR1 Q6W5P4 3/20 0.48
ALDH1A1 P00352 5/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 3/20 0.46
HSD17B10 Q99714 3/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
HCRTR1 O43613 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
DPP4 P27487 1/20 0.46

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
SCHEMBL462684 0.78 MAPT (0.79) KDM4ENPC1RAB9AMAPTHPGD
SCHEMBL25975282 0.77 MAPK8 (0.55) KDM4ENPC1RAB9AMAPTHPGD
SCHEMBL462950 0.77 NPC1 (0.57) KDM4ENPC1RAB9AMAPTHPGD
SCHEMBL7062668 0.77 HPGD (0.65) KDM4ENPC1RAB9AMAPTHPGD
SCHEMBL463058 0.77 NPSR1 (0.44) KDM4EMAPTHPGDNPSR1ALDH1A1
SCHEMBL12079175 0.75 ABCB1 (0.44) KDM4EMAPTHPGDNPSR1ALDH1A1
SCHEMBL461427 0.74 RXFP1 (0.43) KDM4EMAPTHPGDNPSR1ALDH1A1
SCHEMBL25975296 0.73 MAPK8 (0.53) KDM4ENPC1RAB9AMAPTHPGD
SCHEMBL461151 0.73 ABCB1 (0.43) KDM4EHPGDNPSR1ALDH1A1HTT
SCHEMBL461150 0.73 ABCB1 (0.43) KDM4EHPGDNPSR1ALDH1A1HTT

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
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
EP-2614064-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 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-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS KDM4E 2143/4885NPC1 434/4885RAB9A 1173/4885

“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.