SCHEMBL2057844

SCHEMBL2057844

Cn1nc(-c2ccc(C(=O)N3CCc4ccccc4C3)s2)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.56
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ MAPT P10636 6/20 0.49
▸ HTT P42858 4/20 0.49
▸ HPGD P15428 5/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ CASP1 P29466 2/20 0.47
▸ CASP7 P55210 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ THRB P10828 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ LMNA P02545 4/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ USP2 O75604 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46

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
SCHEMBL19396253 0.85 NPC1 (0.56) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL1594739 0.85 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL1593901 0.84 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL1594579 0.84 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AHTTHPGD
SCHEMBL1594174 0.84 HDAC1 (0.57) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL1594515 0.83 ALDH1A1 (0.65) ALDH1A1NPC1RAB9AHPGDKDM4E
SCHEMBL1593690 0.83 ALDH1A1 (0.65) ALDH1A1NPC1RAB9AHPGDKDM4E
SCHEMBL1593798 0.82 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL1593789 0.82 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL1594752 0.82 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AMAPTHTT

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 21 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
US-8716263-B2 Synthesis of purine nucleosides GILEAD PHARMASSET LLC (US) 2014-05-06 — — 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-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-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-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

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 455/4885NPC1 1407/4885RAB9A 436/4885
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF MAOB, MAOA, HTR1B ALDH1A1 602/4885NPC1 3317/4885RAB9A 816/4885
US-20170273968-A1 MAO-B INHIBITORS AND REHABILITATION MAOB, MAOA, HTR2B ALDH1A1 1300/4885NPC1 3863/4885RAB9A 960/4885
US-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B ALDH1A1 455/4885NPC1 1407/4885RAB9A 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.

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