SCHEMBL1312989

SCHEMBL1312989

Cn1nc(C(=O)NCCCN2CCOCC2)cc1-c1cc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ PARP1 P09874 2/20 0.54
▸ KMT2A Q03164 4/20 0.53
▸ RAD52 P43351 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ HTT P42858 2/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ PTGS2 P35354 1/20 0.51
▸ HPGD P15428 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48

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
SCHEMBL1311918 0.86 KDM4E (0.61) KDM4EALDH1A1HSD17B10MAPTTSHR
SCHEMBL1311144 0.85 KDM4E (0.62) KDM4EALDH1A1HSD17B10MAPTTSHR
SCHEMBL1311450 0.83 KDM4E (0.49) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL1314901 0.83 KDM4E (0.49) KDM4EALDH1A1HSD17B10
SCHEMBL1311905 0.82 SMN1; SMN2 (0.50) KDM4EALDH1A1HSD17B10PARP1KMT2A
SCHEMBL1311891 0.82 KDM4E (0.48) KDM4EALDH1A1HSD17B10
SCHEMBL1311838 0.81 KDM4E (0.48) KDM4EALDH1A1HSD17B10
SCHEMBL1312444 0.81 KDM4E (0.48) KDM4EALDH1A1HSD17B10
SCHEMBL1746445 0.80 PARP1 (0.49) KDM4EALDH1A1HSD17B10PARP1KMT2A
SCHEMBL1312276 0.80 KDM4E (0.47) KDM4EALDH1A1HSD17B10

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-2386546-B1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RAQUALIA PHARMA INC (JP) 2015-08-19 — — EP disclosed
US-8252790-B2 Pyrazole-3-carboxamide derivative having 5-HT2B receptor antagonist activity RAQUALIA PHARMA INC. (JP) 2012-08-28 — — US disclosed
US-8252790-B2 Pyrazole-3-carboxamide derivative having 5-HT2B receptor antagonist activity RAQUALIA PHARMA INC. (JP) 2012-08-28 — — US disclosed
EP-2386546-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RaQualia Pharma Inc (JP) 2011-11-16 — — EP disclosed
US-20110275628-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-11-10 — — US disclosed
US-20110275628-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-11-10 — — US disclosed
US-RE42840-E1 Stool flushing device TOTO, LTD. (JP) 2011-10-18 — — US disclosed
WO-2010058858-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY ラクオリア創薬株式会社 (JP) 2010-05-27 — — WO 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 (1 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-20110275628-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY HTR2B, HTR1B, HTR3B KDM4E 3923/4885ALDH1A1 1210/4885HSD17B10 1637/4885

“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.

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