SCHEMBL2267263

SCHEMBL2267263

O=Cc1cccc(NC(=O)Nc2ccc(F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
CNR1 P21554 2/20 0.56
MTOR P42345 1/20 0.52
SNCA P37840 1/20 0.51
RAB9A P51151 7/20 0.50
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
CDK8 P49336 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
SCHEMBL2264595 0.89 RAB9A (0.62) MTORRAB9AKMT2AMEN1NPC1
SCHEMBL15651741 0.87 TP53 (0.61) CA12CA1CA2CA9CNR1
SCHEMBL2269748 0.84 RAB9A (0.63) CNR1RAB9AKMT2AMEN1NPC1
SCHEMBL2105988 0.84 CNR1 (0.63) CNR1RAB9AKMT2AMEN1NPC1
SCHEMBL2267606 0.84 SMN1; SMN2 (0.53) CA12CA1CA2CA9CNR1
SCHEMBL2266595 0.84 BAZ1A (0.68) MTORRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL29572557 0.83 MEN1 (0.73) SNCARAB9AKMT2AMEN1NPC1
SCHEMBL15652954 0.83 MEN1 (0.73) SNCARAB9AKMT2AMEN1NPC1
SCHEMBL15652210 0.82 SLC2A1 (0.64) CA2RAB9AKMT2AMEN1NPC1
SCHEMBL2268420 0.81 RAB9A (0.60) CA12CA1CA2CA9RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091920-B1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI SA (FR) 2014-10-22 EP disclosed
US-8420824-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI (FR) 2013-04-16 US disclosed
US-8410286-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI-AVENTIS (FR) 2013-04-02 US disclosed
US-20110237801-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
US-7989439-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI-AVENTIS (FR) 2011-08-02 US disclosed
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2009-11-26 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-20110237801-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 CA12 4509/4885CA1 2919/4885CA2 3041/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 CA12 4562/4885CA1 2839/4885CA2 3088/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 CA12 4509/4885CA1 2919/4885CA2 3041/4885

“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.