SCHEMBL1593832

SCHEMBL1593832

Cn1nc(-c2ccc(C(=O)N3CCC(CO)CC3)s2)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
GAA P10253 3/20 0.50
POLB P06746 1/20 0.50
HTR2C P28335 6/20 0.45
HTR2A P28223 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MCHR1 Q99705 2/20 0.38
SPR P35270 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
MAPK14 Q16539 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL14422982 0.92 ALDH1A1 (0.57) ALDH1A1GAAPOLBHTR2CHTR2A
SCHEMBL1594066 0.89 ALDH1A1 (0.61) ALDH1A1GAAPOLBL3MBTL1MCHR1
SCHEMBL1595811 0.89 ALDH1A1 (0.60) ALDH1A1GAAPOLBL3MBTL1MCHR1
SCHEMBL1594280 0.89 ALDH1A1 (0.60) ALDH1A1GAAPOLBL3MBTL1MCHR1
SCHEMBL1594739 0.88 ALDH1A1 (0.68) ALDH1A1GAAPOLBL3MBTL1KDM4E
SCHEMBL1594219 0.88 ALDH1A1 (0.59) ALDH1A1GAAPOLBL3MBTL1MCHR1
SCHEMBL1594170 0.88 ALDH1A1 (0.59) ALDH1A1GAAPOLBL3MBTL1MCHR1
SCHEMBL1593625 0.88 CYP2C9 (0.55) ALDH1A1GAAPOLBCYP2C9CYP2C19
SCHEMBL1596435 0.87 ALDH1A1 (0.64) ALDH1A1GAAPOLBL3MBTL1MCHR1
SCHEMBL1593690 0.86 ALDH1A1 (0.65) ALDH1A1GAAPOLBL3MBTL1KDM4E

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 24 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
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
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 455/4885GAA 76/4885POLB 1119/4885
US-20170273968-A1 MAO-B INHIBITORS AND REHABILITATION MAOB, MAOA, HTR2B ALDH1A1 1300/4885GAA 157/4885POLB 844/4885
US-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B ALDH1A1 455/4885GAA 76/4885POLB 1119/4885

“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.