SCHEMBL2264595

SCHEMBL2264595

O=Cc1cccc(NC(=O)Nc2cccc(F)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.62
MEN1 O00255 8/20 0.62
KMT2A Q03164 8/20 0.62
MTOR P42345 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
MMP1 P03956 2/20 0.56
MMP2 P08253 2/20 0.56
MMP9 P14780 2/20 0.56
NPC1 O15118 9/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
GBA1 P04062 1/20 0.54
GAA P10253 2/20 0.52
TSHR P16473 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL2267263 0.89 CA12 (0.57) RAB9AMEN1KMT2AMTORTAAR1
SCHEMBL27193042 0.86 RAB9A (0.79) RAB9AMEN1KMT2AMTORTAAR1
SCHEMBL30851500 0.86 RAB9A (0.79) RAB9AMEN1KMT2AMTORTAAR1
SCHEMBL2267606 0.86 SMN1; SMN2 (0.53) RAB9AMEN1KMT2AMTORNPC1
SCHEMBL5068880 0.85 MTOR (0.59) RAB9AMEN1KMT2AMTORTAAR1
SCHEMBL15651741 0.85 TP53 (0.61) RAB9AMEN1KMT2ATAAR1NPC1
SCHEMBL2267761 0.83 MTOR (0.58) RAB9AMEN1KMT2AMTORMAPT
SCHEMBL2268420 0.82 RAB9A (0.60) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL4555389 0.81 KMT2A (0.72) RAB9AMEN1KMT2AMTORTAAR1
SCHEMBL15652210 0.81 SLC2A1 (0.64) RAB9AMEN1KMT2ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 1128/4885MEN1 2480/4885KMT2A 2593/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 RAB9A 1119/4885MEN1 2340/4885KMT2A 2544/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 RAB9A 1128/4885MEN1 2480/4885KMT2A 2593/4885

“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.