SCHEMBL17666342

SCHEMBL17666342

Cc1ccc(NC(=O)C(F)(F)F)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 2/20 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
NPC1 O15118 1/20 0.50
TP53 P04637 3/20 0.49
LMNA P02545 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
SCHEMBL6314811 0.86 GAA (0.51) MEN1KMT2AALDH1A1RAB9AHDAC3
SCHEMBL15058961 0.84 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL15049327 0.84 PDK1 (0.47) MEN1KMT2ASMN1; SMN2HTTHDAC1
SCHEMBL27010697 0.83 RAB9A (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL1241057 0.83 GAA (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL17506449 0.83 CYP1A2 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL16983107 0.83 MAPK1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL1310816 0.83 ABCC9 (0.44) MEN1KMT2ASMN1; SMN2HDAC1HDAC7
SCHEMBL746589 0.83 MAPT (0.52) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL913000 0.81 ABCC9 (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA

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-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-01-05 US disclosed
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-04-07 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 (2 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-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI2, F2, TFPI MEN1 819/4885KMT2A 2075/4885SMN1; SMN2 4474/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 MEN1 869/4885KMT2A 1129/4885SMN1; SMN2 3315/4885

“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.