SCHEMBL1593720

SCHEMBL1593720

C=CCN(CC=C)C(=O)c1ccc(C(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 6/20 0.42
LMNA P02545 5/20 0.42
HPGD P15428 6/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
OPRK1 P41145 1/20 0.40
ALOX12 P18054 1/20 0.40
CCR6 P51684 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL176438 0.90 MEN1 (0.47) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL9067824 0.85 SMN1; SMN2 (0.49) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL9657085 0.83 ALDH5A1 (0.48) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL30578615 0.83 TSHR (0.46) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL1594537 0.83 POLB (0.46) KMT2AMEN1ALDH1A1HPGDOPRM1
SCHEMBL22015903 0.82 KMT2A (0.57) KMT2AMEN1ALDH1A1HPGDOPRM1
SCHEMBL31516973 0.82 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL13133146 0.82 MEN1 (0.49) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL14058649 0.81 KMT2A (0.45) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL31453528 0.81 SMN1; SMN2 (0.60) KMT2AMEN1ALDH1A1LMNAHPGD

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 11 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
EP-2465850-A1 THERAPEUTIC COMPOUNDS Helicon Therapeutics, Inc. (US) 2012-06-20 EP 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
EP-1989185-A1 THERAPEUTIC COMPOUNDS Helicon Therapeutics, Inc. (US) 2008-11-12 EP disclosed
WO-2007100851-A1 THERAPEUTIC COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2007-09-07 WO 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 KMT2A 1038/4885MEN1 3397/4885ALDH1A1 455/4885
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF MAOB, MAOA, HTR1B KMT2A 1403/4885MEN1 3781/4885ALDH1A1 602/4885
US-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B KMT2A 1038/4885MEN1 3397/4885ALDH1A1 455/4885

“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.