SCHEMBL15723884

SCHEMBL15723884

CC(C)c1ncccc1-c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 9/20 0.46
▸ CYP3A4 P08684 9/20 0.46
▸ ALDH1A1 P00352 7/20 0.46
▸ HSD17B10 Q99714 6/20 0.46
▸ CYP2C19 P33261 4/20 0.46
▸ ALOX15 P16050 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MKNK1 Q9BUB5 2/20 0.46
▸ MKNK2 Q9HBH9 2/20 0.46
▸ TSHR P16473 3/20 0.45
▸ GLA P06280 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CYP2D6 P10635 6/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ RIPK1 Q13546 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41

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
SCHEMBL15723874 0.85 KCNA5 (0.53) CYP3A4FYN
SCHEMBL15723878 0.83 MKNK1 (0.49) ALDH1A1MKNK1MKNK2MAPTSMN1; SMN2
SCHEMBL15730265 0.82 MKNK1 (0.68) CYP1A2CYP3A4ALDH1A1HSD17B10CYP2C19
SCHEMBL14555428 0.82 MKNK1 (0.68) CYP1A2ALDH1A1HSD17B10CYP2C19KDM4E
SCHEMBL15723882 0.79 MKNK1 (0.52) MKNK1MKNK2MAPTRIPK1TP53
SCHEMBL23501957 0.78 USP7 (0.47) CYP1A2CYP3A4ALDH1A1HSD17B10CYP2C19
SCHEMBL10094498 0.78 NCOA1 (0.46) CYP1A2CYP3A4ALDH1A1HSD17B10CYP2C19
SCHEMBL17970840 0.78 MEN1 (0.43) CYP3A4ALDH1A1ALOX15KDM4ETSHR
SCHEMBL26627849 0.76 USP7 (0.44) HSD17B10MKNK1MKNK2NPSR1MAPT
SCHEMBL14555509 0.74 PTGS2 (0.45) ALDH1A1HSD17B10KDM4EHPGDMKNK1

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 CYP1A2 489/4885CYP3A4 247/4885ALDH1A1 649/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN CYP1A2 489/4885CYP3A4 247/4885ALDH1A1 649/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP1A2 489/4885CYP3A4 247/4885ALDH1A1 649/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP1A2 489/4885CYP3A4 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.

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