SCHEMBL717219

SCHEMBL717219

C=CCOc1ccc(NC)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CYP2D6 P10635 1/20 0.47
APP P05067 13/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
TP53 P04637 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
SCHEMBL21190500 0.88 SMN1; SMN2 (0.48) NPC1RAB9APOLBMAPTSMN1; SMN2
1,4-Diallyloxybenzene SCHEMBL302448 0.82 CA12 (0.63) NPC1RAB9APOLBMAPTSMN1; SMN2
SCHEMBL3389054 0.80 CA12 (0.53) NPC1RAB9APOLBMAPTSMN1; SMN2
SCHEMBL8737479 0.79 NPC1 (0.49) NPC1RAB9APOLBMAPTSMN1; SMN2
SCHEMBL13512752 0.79 APP (0.55) NPC1RAB9APOLBMAPTSMN1; SMN2
SCHEMBL11493726 0.78 CA12 (0.51) NPC1RAB9APOLBMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL9429825 0.78 CA12 (0.51) NPC1RAB9APOLBMAPTSMN1; SMN2
SCHEMBL3661946 0.78 GAA (0.53) NPC1RAB9AMAPTSMN1; SMN2APP
SCHEMBL11108889 0.77 MAPT (0.50) NPC1RAB9APOLBMAPTSMN1; SMN2
SCHEMBL2999592 0.77 ALDH1A1 (0.55) NPC1RAB9APOLBMAPTSMN1; 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729443-B3 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2020-02-12 EP disclosed
US-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
CN-106458940-A Inhibitors of human immunodeficiency virus replication 百时美施贵宝公司 2017-02-22 CN disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
EP-3060554-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2016-08-31 EP disclosed
WO-2015061518-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-30 WO disclosed
US-20120235148-A1 PHOTO-CROSSLINKABLE MATERIAL FOR ORGANIC THIN FILM TRANSISTOR INSULATING LAYER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-20 US disclosed
EP-2479791-A1 PHOTO-CROSSLINKABLE MATERIAL FOR ORGANIC THIN FILM TRANSISTOR INSULATING LAYER Sumitomo Chemical Co., Ltd (JP) 2012-07-25 EP disclosed
CN-102484141-A Photo-crosslinking organic thin film transistor insulating layer material SUMITOMO CHEMICAL CO 2012-05-30 CN disclosed
US-20120053287-A1 RESIN COMPOSITION FOR INSULATING LAYER SUMITOMO CHEMICAL COMPANY, LTD (JP) 2012-03-01 US disclosed
CN-102282186-A Resin composition for insulating layer 2011-12-14 CN 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 (2 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-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR1E, POLR1G NPC1 260/4885RAB9A 2160/4885POLB 15/4885
US-10035760-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR1G, POLR1E NPC1 290/4885RAB9A 2217/4885POLB 14/4885

“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.