SCHEMBL1593693

SCHEMBL1593693

Cn1nc(-c2ccc(C(=O)NCCCN3CCCC3)s2)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.49
RAD52 P43351 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 3/20 0.49
POLB P06746 3/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPK1 P28482 1/20 0.49
STAT1 P42224 1/20 0.49
GFER P55789 1/20 0.49
ACKR3 P25106 2/20 0.47
GAA P10253 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 2/20 0.44

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
SCHEMBL1594477 0.94 ALDH1A1 (0.57) ALDH1A1KDM4ERAD52MAPTLMNA
SCHEMBL1593887 0.93 ALDH1A1 (0.56) ALDH1A1KDM4ERAD52MAPTLMNA
SCHEMBL1594589 0.92 MEN1 (0.57) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL1594512 0.87 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTPOLBTP53
SCHEMBL1593958 0.86 L3MBTL1 (0.55) ALDH1A1HPGDMAPK1L3MBTL1KMT2A
SCHEMBL1593840 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL1594502 0.85 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTPOLBHPGD
SCHEMBL1593648 0.85 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAPOLBHPGD
SCHEMBL1594564 0.84 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTPOLBTP53
SCHEMBL1594922 0.84 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTPOLBTP53

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 455/4885KDM4E 731/4885RAD52 3547/4885
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF MAOB, MAOA, HTR1B ALDH1A1 602/4885KDM4E 844/4885RAD52 4133/4885
US-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B ALDH1A1 455/4885KDM4E 731/4885RAD52 3547/4885

“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.