SCHEMBL1593636

SCHEMBL1593636

Cn1nc(-c2ccc(C(=O)N3CCOCC3)s2)cc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
GAA P10253 4/20 0.54
HPGD P15428 5/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 6/20 0.45
MAPK1 P28482 4/20 0.45
HSD17B10 Q99714 3/20 0.45
HTT P42858 1/20 0.45
ERN1 O75460 2/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.44
USP2 O75604 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
SCHEMBL1594739 0.92 ALDH1A1 (0.68) ALDH1A1GAAHPGDRAB9ANPC1
SCHEMBL1594515 0.90 ALDH1A1 (0.65) ALDH1A1GAAHPGDRAB9ANPC1
SCHEMBL1593690 0.90 ALDH1A1 (0.65) ALDH1A1GAAHPGDRAB9ANPC1
SCHEMBL1594066 0.89 ALDH1A1 (0.61) ALDH1A1GAAHPGDRAB9ANPC1
SCHEMBL1593789 0.89 ALDH1A1 (0.64) ALDH1A1GAAHPGDRAB9ANPC1
SCHEMBL1594752 0.89 ALDH1A1 (0.64) ALDH1A1GAAHPGDRAB9ANPC1
SCHEMBL1594579 0.89 ALDH1A1 (0.64) ALDH1A1GAAHPGDRAB9ANPC1
SCHEMBL1594712 0.89 ALDH1A1 (0.64) ALDH1A1GAAHPGDRAB9ANPC1
SCHEMBL1593820 0.88 ALDH1A1 (0.63) ALDH1A1GAAHPGDRAB9ANPC1
SCHEMBL14953537 0.88 ALDH1A1 (0.63) ALDH1A1GAAHPGDRAB9ANPC1

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 22 patents — showing the first 20. 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
EP-1989185-B1 THERAPEUTIC COMPOUNDS HELICON THERAPEUTICS INC (US) 2013-05-22 EP 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
EP-2465850-A1 THERAPEUTIC COMPOUNDS Helicon Therapeutics, Inc. (US) 2012-06-20 EP 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
WO-2007100851-A1 THERAPEUTIC COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2007-09-07 WO 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.