SCHEMBL1594022

SCHEMBL1594022

Cn1nc(-c2ccc(C(=O)NCCc3ccc(F)cc3)s2)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
AKT3 Q9Y243 6/20 0.56
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
HDAC1 Q13547 4/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ACKR3 P25106 2/20 0.43
KDM4E B2RXH2 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
SCHEMBL1594041 0.92 ALDH1A1 (0.56) ALDH1A1AKT3RAB9ASMN1; SMN2NPC1
SCHEMBL1593645 0.90 ALDH1A1 (0.58) ALDH1A1AKT3RAB9ASMN1; SMN2HDAC1
SCHEMBL1594564 0.85 ALDH1A1 (0.63) ALDH1A1AKT3RAB9ASMN1; SMN2NPC1
SCHEMBL1594922 0.85 ALDH1A1 (0.63) ALDH1A1AKT3RAB9ASMN1; SMN2NPC1
SCHEMBL1593729 0.85 ALDH1A1 (0.55) ALDH1A1AKT3RAB9ASMN1; SMN2NPC1
SCHEMBL1593738 0.85 ALDH1A1 (0.53) ALDH1A1AKT3RAB9ASMN1; SMN2NPC1
SCHEMBL1593975 0.84 ALDH1A1 (0.54) ALDH1A1AKT3RAB9ASMN1; SMN2NPC1
SCHEMBL1593809 0.84 ALDH1A1 (0.61) ALDH1A1AKT3RAB9ASMN1; SMN2NPC1
SCHEMBL1594798 0.84 ALDH1A1 (0.58) ALDH1A1AKT3RAB9AHDAC1GAA
SCHEMBL1594673 0.83 ALDH1A1 (0.60) ALDH1A1RAB9ASMN1; SMN2NPC1HDAC1

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 455/4885AKT3 1878/4885RAB9A 436/4885
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF MAOB, MAOA, HTR1B ALDH1A1 602/4885AKT3 1284/4885RAB9A 816/4885
US-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B ALDH1A1 455/4885AKT3 1878/4885RAB9A 436/4885

“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.