SCHEMBL1593734

SCHEMBL1593734

Cn1nc(-c2ccc(C(=O)NC[C@H]3CCCO3)s2)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 6/20 0.51
MEN1 O00255 3/20 0.51
HPGD P15428 5/20 0.51
HSD17B10 Q99714 3/20 0.51
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
TSHR P16473 3/20 0.48
HTT P42858 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
RAB9A P51151 6/20 0.47
NPC1 O15118 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 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
SCHEMBL1594713 1.00 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1HPGDHSD17B10
SCHEMBL1593723 1.00 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1HPGDHSD17B10
SCHEMBL14412549 0.88 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1HPGDHSD17B10
SCHEMBL9966057 0.88 KMT2A (0.53) ALDH1A1KMT2AMEN1HPGDHSD17B10
SCHEMBL9966063 0.88 KMT2A (0.53) ALDH1A1KMT2AMEN1HPGDHSD17B10
SCHEMBL1594441 0.85 ALDH1A1 (0.59) ALDH1A1KDM4ERAB9ANPC1
SCHEMBL1594488 0.85 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4EMAPK1RAB9A
SCHEMBL9966060 0.83 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1HPGDHSD17B10
SCHEMBL1594545 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1PKMNPSR1
SCHEMBL1593831 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1PKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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

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 455/4885KMT2A 1038/4885MEN1 3397/4885
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF MAOB, MAOA, HTR1B ALDH1A1 602/4885KMT2A 1403/4885MEN1 3781/4885
US-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B ALDH1A1 455/4885KMT2A 1038/4885MEN1 3397/4885

“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.