SCHEMBL15723912

SCHEMBL15723912

CC(C)c1ncccc1-c1ccc2cccnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
NR4A2 P43354 1/20 0.46
KDM5B Q9UGL1 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
MAPK14 Q16539 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
TGFBR1 P36897 2/20 0.42
OGA O60502 2/20 0.41
GSK3B P49841 1/20 0.40
PDGFRB P09619 1/20 0.40

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
SCHEMBL15723963 0.87 RAB9A (0.62) ALDH1A1CASP1CYP1A2CYP2C19HTT
SCHEMBL15723965 0.87 GSTP1 (0.47) ALDH1A1CYP1A2HTTNPC1RAB9A
SCHEMBL15723916 0.86 KDM4E (0.46) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL15723962 0.85 TGFBR1 (0.52) NPC1RAB9APOLBTGFBR1OGA
SCHEMBL15730608 0.80 ALDH1A1 (0.58) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL15723903 0.79 TGFBR1 (0.44) ALDH1A1CYP1A2NPC1RAB9APOLB
SCHEMBL20032194 0.79 ALDH1A1 (0.51) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL1566756 0.79 ALDH1A1 (0.56) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL28639353 0.79 ALDH1A1 (0.47) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL3726615 0.78 NPC1 (0.68) ALDH1A1MEN1CASP1CASP7KMT2A

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 ALDH1A1 649/4885MEN1 2645/4885CASP1 2243/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN ALDH1A1 649/4885MEN1 2645/4885CASP1 2243/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN ALDH1A1 649/4885MEN1 2645/4885CASP1 2243/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ALDH1A1 649/4885MEN1 2645/4885CASP1 2243/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ALDH1A1 649/4885MEN1 2645/4885CASP1 2243/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ALDH1A1 649/4885MEN1 2645/4885CASP1 2243/4885

“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.