SCHEMBL19853528

SCHEMBL19853528

Cc1cc(F)c(-c2cc(F)c(C)c(F)c2)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
RAPGEF4 Q8WZA2 2/20 0.32
AHR P35869 1/20 0.31
PDK2 Q15119 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TYMP P19971 1/20 0.30

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
SCHEMBL10018717 0.85 HDAC1 (0.39) HDAC1HDAC6RAPGEF4TYMP
SCHEMBL19322647 0.84 TYMP (0.33) RAPGEF4AHRMEN1NPC1LMNA
SCHEMBL19807357 0.84 AHR (0.40) RAPGEF4AHRPDK2MEN1NPC1
SCHEMBL3684762 0.82
SCHEMBL13087003 0.79 RAPGEF4 (0.38) HDAC1HDAC6RAPGEF4MEN1KMT2A
SCHEMBL764794 0.78 RAPGEF4 (0.37) HDAC1HDAC6RAPGEF4MEN1NPC1
SCHEMBL30668 0.75 HDAC1 (0.48) HDAC1HDAC6RAPGEF4
SCHEMBL16373692 0.73 RAPGEF4 (0.39) HDAC1HDAC6RAPGEF4MEN1NPC1
SCHEMBL24513805 0.73 CYP11B1 (0.39) HDAC1HDAC6
SCHEMBL19335921 0.73 CCR1 (0.44) HDAC1HDAC6MEN1NPC1RAB9A

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-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 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-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 HDAC1 56/4885HDAC6 197/4885RAPGEF4 3217/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 HDAC1 56/4885HDAC6 197/4885RAPGEF4 3217/4885

“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.