SCHEMBL3177306

SCHEMBL3177306

O=C(NC1CC1)C(Nc1nc(-c2ccc(F)cc2)cs1)OC(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
POLB P06746 1/20 0.47
NPY5R Q15761 1/20 0.42
KMT2A Q03164 6/20 0.42
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
ALOX12 P18054 1/20 0.41
MEN1 O00255 5/20 0.41
ALOX5 P09917 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
CDC25C P30307 1/20 0.39

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 0.85 LMNA (0.51) LMNAPOLBNPY5RKMT2AHTT
SCHEMBL3173320 0.84 SMN1; SMN2 (0.47) LMNANPY5RKMT2AHTTMAPT
SCHEMBL3170063 0.82 LMNA (0.59) LMNANPY5RKMT2AHTTMAPT
SCHEMBL3164237 0.81 ALOX5 (0.45) LMNANPY5RKMT2AHTTMAPT
SCHEMBL3169661 0.81 KMT2A (0.45) LMNAKMT2AHTTMAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL3177298 0.73 LMNA (0.52) LMNAPOLBNPY5RKMT2AHTT
SCHEMBL8446320 0.71 KMT2A (0.55) LMNAPOLBNPY5RKMT2AHTT
SCHEMBL3174456 0.68 KMT2A (0.51) LMNANPY5RKMT2AHTTMAPT
SCHEMBL3174785 0.66 LMNA (0.57) LMNAPOLBNPY5RKMT2AHTT
SCHEMBL3179680 0.65 SMN1; SMN2 (0.42) KMT2AHTTMAPTSMN1; SMN2MEN1

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 2141/4885POLB 2912/4885NPY5R 215/4885

“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.