SCHEMBL7913643

SCHEMBL7913643

CC1=C(c2ccc(NC(=O)c3c(F)cc(F)cc3F)cc2)CN(c2ncccc2N)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 4/20 0.45
TRPV1 Q8NER1 11/20 0.41
ALDH1A1 P00352 1/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
C5AR1 P21730 1/20 0.36
HTR1F P30939 2/20 0.35
HTR1A P08908 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL1784527 0.92 TRPV1 (0.49) MALT1TRPV1ALDH1A1HTR1FHTR1A
SCHEMBL1781523 0.87 TRPV1 (0.49) MALT1TRPV1ALDH1A1
SCHEMBL615159 0.83 JAK2 (0.41) TRPV1
SCHEMBL1783734 0.81 TRPV1 (0.44) TRPV1ALDH1A1HTR1FHTR1AHTR1B
SCHEMBL616240 0.81 JAK2 (0.43) TRPV1ALDH1A1
Hydrochloric Acid SCHEMBL1781429 0.80 TRPV1 (0.44) TRPV1ALDH1A1HTR1FHTR1AHTR1B
SCHEMBL1782304 0.80 TRPV1 (0.47) MALT1TRPV1ALDH1A1
SCHEMBL614007 0.80 JAK2 (0.45) TRPV1ALDH1A1
SCHEMBL615155 0.79 MALT1 (0.43) MALT1TRPV1
Hydrochloric Acid SCHEMBL2364885 0.78 TRPV1 (0.37) TRPV1ALDH1A1HTR1FHTR1AHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-19 US disclosed
WO-2010039236-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-04-08 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 (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-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 MALT1 138/4885TRPV1 92/4885ALDH1A1 1672/4885

“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.