SCHEMBL1593729

SCHEMBL1593729

Cn1nc(-c2ccc(C(=O)NCCCc3ccccc3)s2)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 2/20 0.54
USP2 O75604 1/20 0.54
RAB9A P51151 1/20 0.54
HDAC1 Q13547 5/20 0.49
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
ACKR3 P25106 7/20 0.48
AKT3 Q9Y243 2/20 0.47
FAAH O00519 1/20 0.47

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
SCHEMBL1594447 0.88 ALDH1A1 (0.59) ALDH1A1L3MBTL1RAB9AHDAC1HDAC3
SCHEMBL1594512 0.87 ALDH1A1 (0.60) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL1594974 0.86 ALDH1A1 (0.57) ALDH1A1L3MBTL1RAB9AHDAC1HDAC3
SCHEMBL1594022 0.85 ALDH1A1 (0.56) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL1594041 0.85 ALDH1A1 (0.56) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL1593648 0.85 ALDH1A1 (0.58) ALDH1A1L3MBTL1SMN1; SMN2RAB9AHDAC1
SCHEMBL1594502 0.85 ALDH1A1 (0.58) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL1594564 0.84 ALDH1A1 (0.63) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL1594922 0.84 ALDH1A1 (0.63) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL1594409 0.84 ALDH1A1 (0.57) ALDH1A1L3MBTL1RAB9AHDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2465850-B1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2016-11-23 EP 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-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-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

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 455/4885L3MBTL1 1819/4885SMN1; SMN2 1110/4885
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF MAOB, MAOA, HTR1B ALDH1A1 602/4885L3MBTL1 2501/4885SMN1; SMN2 2821/4885
US-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B ALDH1A1 455/4885L3MBTL1 1819/4885SMN1; SMN2 1110/4885

“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.