SCHEMBL12435971

SCHEMBL12435971

CCC(=O)Nc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.57
TRPV1 Q8NER1 3/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 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
SCHEMBL2219628 0.89 ABL1 (0.58) ABL1TRPV1MEN1KMT2AHTT
SCHEMBL12435970 0.87 TRPV1 (0.54) ABL1TRPV1MEN1KMT2AHTT
SCHEMBL2056317 0.80 EPHX2 (0.67) MEN1KMT2ASMN1; SMN2
SCHEMBL15388744 0.78 ABL1 (0.64) ABL1TRPV1MEN1KMT2AHTT
SCHEMBL2914329 0.76 TRPV1 (0.74) ABL1TRPV1MEN1KMT2AHTT
SCHEMBL19226013 0.75 TRPV1 (0.68) ABL1TRPV1MEN1KMT2AHTT
SCHEMBL23657648 0.75 TRPV1 (0.78) ABL1TRPV1MEN1KMT2AHTT
SCHEMBL2215952 0.74 HDAC8 (0.63) MEN1KMT2AHTTSMN1; SMN2HDAC1
SCHEMBL14640504 0.73 TRPV1 (0.76) ABL1TRPV1MEN1KMT2AHTT
SCHEMBL22815834 0.73 TRPV1 (0.76) ABL1TRPV1MEN1KMT2AHTT

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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 US disclosed
US-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 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 (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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use CUL3, APOBEC3G, BRPF3 ABL1 951/4885TRPV1 4558/4885MEN1 4747/4885

“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.