SCHEMBL1313129

SCHEMBL1313129

CCOC(CNC(=O)c1cc(I)n(C)n1)OCC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX1 P07099 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADORA2A P29274 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL1312697 0.83 L3MBTL1 (0.44) ATMKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL1311811 0.81 L3MBTL1 (0.43) ATMKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL21597598 0.73 SMN1; SMN2 (0.46) ATMKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL20168414 0.71 CYP1A2 (0.46) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL16092693 0.69 MAPK1 (0.56) ATMKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL1312902 0.69 MAPK1 (0.44) MAPK1NPC1ALDH1A1BAZ2BMAPT
SCHEMBL27106513 0.68 ATM (0.43) ATMKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL1312257 0.67 CHRNB2 (0.44) KMT2AMAPK1ALDH1A1L3MBTL1BAZ2B
SCHEMBL12011405 0.66 BAZ2B (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL621938 0.66 KDM4E (0.39) SMN1; SMN2ALDH1A1BAZ2B

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 9 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
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 ATM 4149/4885KMT2A 2443/4885MEN1 2913/4885

“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.