SCHEMBL17029010

SCHEMBL17029010

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
F2RL3 Q96RI0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLA2G2A P14555 1/20 0.40
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A3 P47895 2/20 0.39
ALDH1A2 O94788 1/20 0.39

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
SCHEMBL17029013 0.91 F2RL3 (0.40) NPC1RAB9AMAPTF2RL3KDM4E
SCHEMBL17029009 0.89 NPC1 (0.43) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL18364982 0.89 RAB9A (0.45) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL17029008 0.88 KMO (0.43) NPC1RAB9AMAPTF2RL3L3MBTL1
SCHEMBL17029007 0.85 XPO1 (0.42) NPC1RAB9AMAPTF2RL3L3MBTL1
SCHEMBL17039247 0.82 KDM4E (0.40) NPC1RAB9AMAPTF2RL3KDM4E
SCHEMBL17029024 0.82 SMN1; SMN2 (0.39) NPC1RAB9AMAPTF2RL3KDM4E
SCHEMBL17029026 0.82 SMN1; SMN2 (0.39) NPC1RAB9AMAPTF2RL3KDM4E
SCHEMBL20344785 0.78 CNR2 (0.38) NPC1RAB9AMAPTF2RL3KDM4E
SCHEMBL18364985 0.78 CNR2 (0.38) NPC1RAB9AMAPTF2RL3KDM4E

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.