SCHEMBL1593840

SCHEMBL1593840

Cn1nc(-c2ccc(C(=O)NCCN3CCOCC3)s2)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
GAA P10253 2/20 0.51
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
STAT3 P40763 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CD274 Q9NZQ7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MMP12 P39900 3/20 0.47
LMNA P02545 3/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
CA2 P00918 1/20 0.46
GLA P06280 1/20 0.46
EPHX2 P34913 1/20 0.46
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1594589 0.94 MEN1 (0.57) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL1594477 0.91 ALDH1A1 (0.57) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL1593887 0.90 ALDH1A1 (0.56) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL1593693 0.85 ALDH1A1 (0.55) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL9966087 0.85 KMT2A (0.46) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL1594922 0.84 ALDH1A1 (0.63) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL1594564 0.84 ALDH1A1 (0.63) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL1593809 0.83 ALDH1A1 (0.61) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL1594673 0.82 ALDH1A1 (0.60) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL1594512 0.82 ALDH1A1 (0.60) ALDH1A1GAAKDM4EHPGDMAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 76/4885KDM4E 731/4885
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF MAOB, MAOA, HTR1B ALDH1A1 602/4885GAA 400/4885KDM4E 844/4885
US-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B ALDH1A1 455/4885GAA 76/4885KDM4E 731/4885

“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.