SCHEMBL1593679

SCHEMBL1593679

Cn1nc(-c2ccc(C(=O)N3CCC(O)(c4ccccc4)CC3)s2)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ GAA P10253 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP46A1 Q9Y6A2 1/20 0.42
▸ SCD5 Q86SK9 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PTGES2 Q9H7Z7 1/20 0.40
▸ OPRM1 P35372 5/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL12589455 0.88 ALDH1A1 (0.52) ALDH1A1GAAL3MBTL1SCD5POLB
SCHEMBL1594300 0.86 ALDH1A1 (0.58) ALDH1A1GAAL3MBTL1POLBPTGES2
SCHEMBL12589840 0.86 CYP46A1 (0.47) ALDH1A1CYP46A1SCD5POLBOPRM1
SCHEMBL1595349 0.86 ALDH1A1 (0.60) ALDH1A1GAAL3MBTL1POLBPTGES2
SCHEMBL1594739 0.85 ALDH1A1 (0.68) ALDH1A1GAAL3MBTL1POLBPTGES2
SCHEMBL14953537 0.84 ALDH1A1 (0.63) ALDH1A1GAAL3MBTL1POLBPTGES2
SCHEMBL1593690 0.83 ALDH1A1 (0.65) ALDH1A1GAAL3MBTL1POLBPTGES2
SCHEMBL1594515 0.83 ALDH1A1 (0.65) ALDH1A1GAAL3MBTL1POLBPTGES2
SCHEMBL2057993 0.83 ALDH1A1 (0.57) ALDH1A1GAAL3MBTL1SCD5POLB
SCHEMBL1593789 0.82 ALDH1A1 (0.64) ALDH1A1GAAL3MBTL1POLBLMNA

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 23 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-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
US-20100317648-A1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2010-12-16 — — 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
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 (4 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 76/4885L3MBTL1 1819/4885
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF MAOB, MAOA, HTR1B ALDH1A1 602/4885GAA 400/4885L3MBTL1 2501/4885
US-20170273968-A1 MAO-B INHIBITORS AND REHABILITATION MAOB, MAOA, HTR2B ALDH1A1 1300/4885GAA 157/4885L3MBTL1 2981/4885
US-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B ALDH1A1 455/4885GAA 76/4885L3MBTL1 1819/4885

“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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