SCHEMBL1594063

SCHEMBL1594063

CCn1nc(-c2ccc(C(=O)N3CCCCC3)s2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
HPGD P15428 12/20 0.46
YEATS4 O95619 1/20 0.43
KDM4E B2RXH2 6/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HSD17B10 Q99714 8/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL1594357 0.92 ALDH1A1 (0.47) ALDH1A1HPGDYEATS4KDM4ELMNA
SCHEMBL1595310 0.89 ALDH1A1 (0.44) ALDH1A1HPGDYEATS4KDM4ELMNA
SCHEMBL1594752 0.85 ALDH1A1 (0.64) ALDH1A1HPGDYEATS4KDM4ELMNA
SCHEMBL1594712 0.85 ALDH1A1 (0.64) ALDH1A1HPGDYEATS4KDM4ELMNA
SCHEMBL1593789 0.85 ALDH1A1 (0.64) ALDH1A1HPGDYEATS4KDM4ELMNA
SCHEMBL1594515 0.84 ALDH1A1 (0.65) ALDH1A1HPGDYEATS4KDM4ENPC1
SCHEMBL19396269 0.84 ALDH1A1 (0.50) ALDH1A1HPGDYEATS4KDM4ELMNA
SCHEMBL5212779 0.83 ALDH1A1 (0.53) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL1593690 0.82 ALDH1A1 (0.65) ALDH1A1HPGDYEATS4KDM4ENPC1
SCHEMBL19400063 0.81 ALDH1A1 (0.55) ALDH1A1HPGDYEATS4KDM4ELMNA

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273968-A1 MAO-B INHIBITORS AND REHABILITATION DART NEUROSCIENCE, LLC 2017-09-28 US disclosed
EP-2465850-B1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2016-11-23 EP disclosed
EP-2465850-B1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2016-11-23 EP disclosed
WO-2016044635-A1 MAO-B INHIBITORS AND REHABILITATION DART NEUROSCIENCE, LLC (US) 2016-03-24 WO 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-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 455/4885HPGD 1243/4885YEATS4 1892/4885
US-20170273968-A1 MAO-B INHIBITORS AND REHABILITATION MAOB, MAOA, HTR2B ALDH1A1 1300/4885HPGD 932/4885YEATS4 2281/4885
US-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B ALDH1A1 455/4885HPGD 1243/4885YEATS4 1892/4885

“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.