SCHEMBL18010484

SCHEMBL18010484

COc1ccc(CCc2nnc(N)s2)cc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.75
HPGD P15428 2/20 0.74
LMNA P02545 1/20 0.74
ATM Q13315 1/20 0.63
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
MAPT P10636 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
KDM4E B2RXH2 1/20 0.57
TP53 P04637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
POLB P06746 4/20 0.55
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
TSHR P16473 1/20 0.46

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
SCHEMBL10007616 0.85 ALDH1A1 (1.00) ALDH1A1HPGDLMNAATMKMT2A
SCHEMBL14427584 0.80 ALDH1A1 (0.76) ALDH1A1HPGDLMNAATMKDM4E
SCHEMBL3738440 0.79 ALDH1A1 (0.72) ALDH1A1HPGDLMNAKMT2AMEN1
SCHEMBL17967124 0.78 ALDH1A1 (0.72) ALDH1A1LMNAATMKMT2AMEN1
SCHEMBL26599232 0.78 ATM (0.69) ALDH1A1HPGDLMNAATMKMT2A
SCHEMBL17967711 0.78 ATM (0.69) ALDH1A1HPGDLMNAATMKMT2A
SCHEMBL3729367 0.78 ATM (1.00) ALDH1A1HPGDATMKMT2AMEN1
Hydrochloric Acid SCHEMBL21391938 0.77 ATM (0.67) ALDH1A1HPGDLMNAATMKMT2A
SCHEMBL26599691 0.74 ATM (0.63) ALDH1A1HPGDLMNAATMKMT2A
SCHEMBL834551 0.74 TAAR1 (0.73) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428061-B2 Autotaxin inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-10-01 US disclosed
EP-3253748-B1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECH LTD (GB) 2019-04-17 EP disclosed
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 US disclosed
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 US disclosed
WO-2016124938-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-11 WO 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-20180022742-A1 AUTOTAXIN INHIBITORS ENPP2, RNASE1, ATXN10 ALDH1A1 4116/4885HPGD 3090/4885LMNA 443/4885
US-10428061-B2 Autotaxin inhibitors ENPP2, ATXN10, RNASE1 ALDH1A1 4227/4885HPGD 3259/4885LMNA 430/4885

“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.