SCHEMBL17029009

SCHEMBL17029009

COC(=O)c1c(C)cn2cc(-c3cccc(Br)c3)nc2c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 3/20 0.40
ALDH1A3 P47895 2/20 0.40
ALDH1A2 O94788 1/20 0.40
TMIGD3 P0DMS9 3/20 0.40
RECQL P46063 2/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCL1 Q07820 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL18364982 0.91 RAB9A (0.45) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL17029010 0.89 NPC1 (0.41) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL20344794 0.87 KDM4E (0.42) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL17029016 0.87 KDM4E (0.45) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL17029025 0.84 KDM4E (0.41) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL17029013 0.80 F2RL3 (0.40) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL18364981 0.78 KMO (0.44) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL17029008 0.76 KMO (0.43) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL17029007 0.74 XPO1 (0.42) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL2127609 0.74 RAB9A (0.75) NPC1RAB9AMAPTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107913-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2018-07-04 EP disclosed
EP-3107913-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2018-07-04 EP disclosed
US-9938271-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2018-04-10 US disclosed
US-9938271-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2018-04-10 US disclosed
US-9938271-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2018-04-10 US disclosed
US-20170008887-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2017-01-12 US disclosed
US-20170008887-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2017-01-12 US disclosed
US-20170008887-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2017-01-12 US disclosed
EP-3107913-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-12-28 EP disclosed
WO-2015126765-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed
WO-2015126765-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 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-20170008887-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, RTF2, MAVS NPC1 434/4885RAB9A 1173/4885MAPT 2620/4885

“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.