SCHEMBL15723977

SCHEMBL15723977

CC(C)c1ncccc1-c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 10/20 0.52
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2E1 P05181 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 2/20 0.45
KCNA5 P22460 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 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
SCHEMBL21540038 0.83 NUDT1 (0.45) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1
SCHEMBL15723950 0.82 PTGS1 (0.44) CYP2A6ALDH1A1PTGS2KCNA5HPGD
SCHEMBL22601441 0.81 MAPT (0.39) ALDH1A1KCNA5KDM4EHPGDSMN1; SMN2
SCHEMBL21339363 0.80 PTGS1 (0.49) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1
SCHEMBL18852471 0.80 HPGDS (0.42) PTGS2HSD17B10TDO2NPC1RAB9A
SCHEMBL14555509 0.79 PTGS2 (0.45) ALDH1A1PTGS2KDM4EHPGDSMN1; SMN2
SCHEMBL2737367 0.78 USP1 (0.50) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1
SCHEMBL26627849 0.78 USP7 (0.44) SMN1; SMN2MAPTHSD17B10NPC1RAB9A
SCHEMBL15723953 0.77 FEN1 (0.43) ALDH1A1KDM4E
SCHEMBL15723922 0.77 PIK3CD (0.50) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
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 (6 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 CYP2A6 1207/4885CYP3A4 247/4885ALDH1A1 649/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN CYP2A6 1207/4885CYP3A4 247/4885ALDH1A1 649/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN CYP2A6 1207/4885CYP3A4 247/4885ALDH1A1 649/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP2A6 1207/4885CYP3A4 247/4885ALDH1A1 649/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP2A6 1207/4885CYP3A4 247/4885ALDH1A1 649/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP2A6 1207/4885CYP3A4 247/4885ALDH1A1 649/4885

“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.