SCHEMBL1593625

SCHEMBL1593625

Cn1nc(-c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)s2)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.55
▸ CYP2C19 P33261 4/20 0.55
▸ MAPK14 Q16539 4/20 0.55
▸ HTR2B P41595 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.53
▸ PKM P14618 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HDAC4 P56524 1/20 0.44
▸ CYP46A1 Q9Y6A2 1/20 0.44
▸ MGLL Q99685 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PRSS12 P56730 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
SCHEMBL14422982 0.88 ALDH1A1 (0.57) CYP2C9CYP2C19MAPK14HTR2BALDH1A1
SCHEMBL1593832 0.88 ALDH1A1 (0.57) CYP2C9CYP2C19MAPK14HTR2BALDH1A1
SCHEMBL19396258 0.87 CYP2C9 (0.51) CYP2C9CYP2C19MAPK14HTR2BALDH1A1
SCHEMBL1594529 0.86 ALDH1A1 (0.55) CYP2C9ALDH1A1POLBGAASMN1; SMN2
SCHEMBL1594066 0.85 ALDH1A1 (0.61) MAPK14ALDH1A1PKMPOLBGAA
SCHEMBL1594280 0.84 ALDH1A1 (0.60) MAPK14ALDH1A1POLBGAAHDAC4
SCHEMBL1595811 0.84 ALDH1A1 (0.60) MAPK14ALDH1A1POLBGAAHDAC4
SCHEMBL1594739 0.84 ALDH1A1 (0.68) ALDH1A1POLBGAAHDAC4SMN1; SMN2
SCHEMBL1594170 0.83 ALDH1A1 (0.59) MAPK14ALDH1A1POLBGAAHDAC4
SCHEMBL1594219 0.83 ALDH1A1 (0.59) MAPK14ALDH1A1POLBGAAHDAC4

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
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
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 CYP2C9 158/4885CYP2C19 53/4885MAPK14 3800/4885
US-20170273968-A1 MAO-B INHIBITORS AND REHABILITATION MAOB, MAOA, HTR2B CYP2C9 587/4885CYP2C19 194/4885MAPK14 1743/4885
US-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B CYP2C9 158/4885CYP2C19 53/4885MAPK14 3800/4885

“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.

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