SCHEMBL12435970

SCHEMBL12435970

CCC(=O)Nc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ABL1 P00519 10/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NAMPT P43490 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL12435971 0.87 ABL1 (0.57) TRPV1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL2219628 0.87 ABL1 (0.58) TRPV1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL12436031 0.86 MAPK1 (0.57) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL12436030 0.82 MEN1 (0.58) MEN1KMT2ASMN1; SMN2HDAC1HDAC8
SCHEMBL12435965 0.81 KMT2A (0.56) MEN1KMT2AHTTSMN1; SMN2NPC1
SCHEMBL12435960 0.79 NPC1 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2056317 0.78 EPHX2 (0.67) MEN1KMT2ASMN1; SMN2
SCHEMBL12436028 0.78 MAPT (0.58) MEN1KMT2AHTTSMN1; SMN2NPC1
SCHEMBL12435980 0.77 NAMPT (0.50) MEN1KMT2ASMN1; SMN2NAMPTNPC1
SCHEMBL12428714 0.77 MAPT (0.45) MEN1KMT2ASMN1; SMN2HDAC3HDAC1

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 TRPV1 4558/4885MEN1 4747/4885KMT2A 964/4885

“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.