SCHEMBL15723943

SCHEMBL15723943

CCOc1ccc(-c2cccnc2C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.46
▸ RAB9A P51151 7/20 0.46
▸ KDM4E B2RXH2 7/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ TP53 P04637 5/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 3/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HSD17B10 Q99714 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NQO1 P15559 1/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MAPT P10636 4/20 0.44

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
SCHEMBL15723893 0.83 CLK4 (0.55) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL15723929 0.83 CYP2D6 (0.40) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL15723911 0.82 MAP4K4 (0.43) KDM4ETP53CYP3A4KMT2AMAPT
SCHEMBL15723928 0.81 GRM2 (0.42) TDP1
SCHEMBL15723947 0.80 HRH3 (0.39) —
SCHEMBL15730884 0.80 MKNK1 (0.51) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL15723888 0.80 OPRM1 (0.39) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL20371564 0.79 GAA (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15723934 0.79 GAA (0.36) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL23501967 0.79 CYP2D6 (0.47) NPC1RAB9AKDM4ESMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — 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 (4 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN NPC1 2/4885RAB9A 357/4885KDM4E 1590/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN NPC1 2/4885RAB9A 357/4885KDM4E 1590/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN NPC1 2/4885RAB9A 357/4885KDM4E 1590/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN NPC1 2/4885RAB9A 357/4885KDM4E 1590/4885

“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.

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