SCHEMBL1593531

SCHEMBL1593531

Cn1nc(-c2ccc(C(=O)c3cccs3)s2)cc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.64
▸ GAA P10253 7/20 0.51
▸ HPGD P15428 5/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ POLB P06746 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PTGES2 Q9H7Z7 1/20 0.43

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
SCHEMBL14953510 0.84 ALDH1A1 (0.55) ALDH1A1GAAHPGDL3MBTL1RAB9A
SCHEMBL1594122 0.83 ALDH1A1 (0.67) ALDH1A1GAAHPGDL3MBTL1RAB9A
SCHEMBL1594595 0.82 ALDH1A1 (0.65) ALDH1A1GAAL3MBTL1RAB9APOLB
SCHEMBL1574357 0.81 ALDH1A1 (0.74) ALDH1A1GAAHPGDL3MBTL1RAB9A
SCHEMBL2058323 0.81 ALDH1A1 (0.74) ALDH1A1GAAHPGDL3MBTL1RAB9A
SCHEMBL1593863 0.81 ALDH1A1 (0.63) ALDH1A1GAAHPGDL3MBTL1RAB9A
SCHEMBL14423004 0.80 ALDH1A1 (0.73) ALDH1A1GAAL3MBTL1RAB9APOLB
SCHEMBL5211882 0.80 ALDH1A1 (0.73) ALDH1A1GAAHPGDL3MBTL1RAB9A
SCHEMBL1594571 0.80 ALDH1A1 (0.65) ALDH1A1GAAL3MBTL1RAB9APOLB
SCHEMBL1594438 0.80 ALDH1A1 (0.56) ALDH1A1GAAHPGDL3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2465850-B1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2016-11-23 — — EP disclosed
US-8791137-B2 Therapeutic compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-07-29 — — US disclosed
US-8791137-B2 Therapeutic compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-07-29 — — US disclosed
US-8791137-B2 Therapeutic compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-07-29 — — US disclosed
US-8399487-B2 Pyrazole compounds and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-03-19 — — US disclosed
US-8399487-B2 Pyrazole compounds and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-03-19 — — US disclosed
US-8399487-B2 Pyrazole compounds and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-03-19 — — US disclosed
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-06-30 — — US disclosed
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-06-30 — — US disclosed
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-06-30 — — US disclosed
US-7919626-B2 Pyrazole compounds and uses thereof HELICON THERAPEUTICS, INC. (US) 2011-04-05 — — US disclosed
US-7919626-B2 Pyrazole compounds and uses thereof HELICON THERAPEUTICS, INC. (US) 2011-04-05 — — US disclosed
US-7919626-B2 Pyrazole compounds and uses thereof HELICON THERAPEUTICS, INC. (US) 2011-04-05 — — US disclosed
US-20100317648-A1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2010-12-16 — — US disclosed
US-20100317648-A1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2010-12-16 — — US disclosed
US-20100317648-A1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2010-12-16 — — US disclosed
US-20070203154-A1 Therapeutic Compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 — — US disclosed
US-20070203154-A1 Therapeutic Compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 — — US disclosed
US-20070203154-A1 Therapeutic Compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 — — 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 (3 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-20100317648-A1 THERAPEUTIC COMPOUNDS MAOB, MAOA, HTR1B ALDH1A1 455/4885GAA 76/4885HPGD 1243/4885
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF MAOB, MAOA, HTR1B ALDH1A1 602/4885GAA 400/4885HPGD 895/4885
US-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B ALDH1A1 455/4885GAA 76/4885HPGD 1243/4885

“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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