SCHEMBL1593831

SCHEMBL1593831

Cn1nc(-c2ccc(CNCC3CCCO3)s2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL1594545 1.00 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1L3MBTL1ATM
SCHEMBL1593830 1.00 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1L3MBTL1ATM
SCHEMBL14412174 0.89 KMT2A (0.39) KMT2AMEN1L3MBTL1ATMPKM
SCHEMBL14412464 0.88 KMT2A (0.40) ALDH1A1KMT2AMEN1L3MBTL1ATM
SCHEMBL9966093 0.87 KMT2A (0.42) ALDH1A1KMT2AMEN1L3MBTL1ATM
SCHEMBL1594365 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1GAAPOLBPKM
SCHEMBL1594713 0.81 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1ATMPKM
SCHEMBL1594676 0.81 GAA (0.55) ALDH1A1L3MBTL1GAAPOLBPKM
SCHEMBL1593734 0.81 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1ATMPKM
SCHEMBL1593723 0.81 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1ATMPKM

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 455/4885KMT2A 1038/4885MEN1 3397/4885
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF MAOB, MAOA, HTR1B ALDH1A1 602/4885KMT2A 1403/4885MEN1 3781/4885
US-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B ALDH1A1 455/4885KMT2A 1038/4885MEN1 3397/4885

“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.