SCHEMBL3170063

SCHEMBL3170063

O=C(Nc1ccccc1)C(Nc1nc(-c2ccc(F)cc2)cs1)OC(=O)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
MEN1 O00255 10/20 0.53
KMT2A Q03164 10/20 0.53
NPY5R Q15761 1/20 0.51
MAPT P10636 7/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 4/20 0.46
ROCK1 Q13464 2/20 0.46
RAB9A P51151 1/20 0.45
RECQL P46063 1/20 0.45
FZD7 O75084 1/20 0.45
MMP2 P08253 1/20 0.45
MMP8 P22894 1/20 0.45

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
SCHEMBL3173777 0.95 LMNA (0.51) LMNAMEN1KMT2ANPY5RMAPT
SCHEMBL3169661 0.85 KMT2A (0.45) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL3173320 0.84 SMN1; SMN2 (0.47) LMNAMEN1KMT2ANPY5RMAPT
SCHEMBL3177306 0.82 LMNA (0.47) LMNAMEN1KMT2ANPY5RMAPT
SCHEMBL3164237 0.81 ALOX5 (0.45) LMNAMEN1KMT2ANPY5RMAPT
Trifluoroacetic Acid SCHEMBL3170055 0.73 LMNA (0.64) LMNAMEN1KMT2ANPY5RMAPT
SCHEMBL8452345 0.71 LMNA (0.70) LMNAMEN1KMT2ANPY5RMAPT
SCHEMBL3179680 0.71 SMN1; SMN2 (0.42) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL29276759 0.69 NPY5R (1.00) LMNAMEN1KMT2ANPY5RMAPT
SCHEMBL28584177 0.69 ALOX5 (0.69) LMNAMEN1KMT2ANPY5RMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2097382-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE Sanofi-Aventis (FR) 2009-09-09 EP disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 EP 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-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 LMNA 2141/4885MEN1 3768/4885KMT2A 1573/4885

“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.