SCHEMBL2269748

SCHEMBL2269748

Cc1ccc(NC(=O)Nc2cccc(C=O)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.63
NPC1 O15118 8/20 0.63
SAE1 Q9UBE0 1/20 0.57
UBA2 Q9UBT2 1/20 0.57
KDR P35968 1/20 0.53
SMN1; SMN2 Q16637 7/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 3/20 0.51
PKM P14618 1/20 0.51
TP53 P04637 4/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
GBA1 P04062 1/20 0.50
CNR1 P21554 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
MMP1 P03956 2/20 0.49
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49

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
SCHEMBL2270208 0.89 SAE1 (0.63) RAB9ANPC1SAE1UBA2SMN1; SMN2
SCHEMBL15651741 0.87 TP53 (0.61) RAB9ANPC1SMN1; SMN2KMT2ATP53
SCHEMBL2268499 0.86 RAB9A (0.56) RAB9ANPC1SAE1UBA2SMN1; SMN2
SCHEMBL12711075 0.85 RAB9A (0.77) RAB9ANPC1SAE1UBA2KDR
SCHEMBL2105988 0.84 CNR1 (0.63) RAB9ANPC1KDRALDH1A1KMT2A
SCHEMBL2267263 0.84 CA12 (0.57) RAB9ANPC1SMN1; SMN2KMT2ATP53
SCHEMBL2272602 0.84 DDX3X (0.55) RAB9ANPC1SAE1UBA2SMN1; SMN2
SCHEMBL2266714 0.84 TP53 (0.71) RAB9ANPC1SAE1UBA2SMN1; SMN2
SCHEMBL15652600 0.83 NPC1 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL10680077 0.82 SAE1 (0.46) RAB9ANPC1SAE1UBA2SMN1; SMN2

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-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
EP-2091920-A2 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE Sanofi-Aventis (FR) 2009-08-26 EP disclosed
WO-2008065282-A2 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2008-06-05 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 (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 1128/4885NPC1 2668/4885SAE1 3052/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 RAB9A 1119/4885NPC1 2357/4885SAE1 2546/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 RAB9A 1128/4885NPC1 2668/4885SAE1 3052/4885

“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.