SCHEMBL19853548

SCHEMBL19853548

Cc1ccc(Cc2ccccc2F)cc1N

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 1/20 0.44
ACHE P22303 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
PTPN1 P18031 1/20 0.40
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.38
IDO1 P14902 1/20 0.38
MPO P05164 2/20 0.38
AOC3 Q16853 1/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL20084226 0.88 SKP2 (0.46) TDP1CYP3A4ACHETAAR1PTPN1
SCHEMBL10510941 0.84 TDP1 (0.48) TDP1CYP3A4TAAR1PARP1ALDH1A1
SCHEMBL27201211 0.78 ALDH1A1 (0.66) CYP3A4ACHETAAR1ALDH1A1IDO1
SCHEMBL6867025 0.78 ALDH1A1 (0.54) TDP1CYP3A4PARP1ALDH1A1CASP1
SCHEMBL3513675 0.77 SKP2 (0.52) TDP1CYP3A4TAAR1ALDH1A1
SCHEMBL20084779 0.76 TAAR1 (0.40) ACHETAAR1PTPN1IDO1MPO
SCHEMBL20084450 0.75 TAAR1 (0.42) ACHETAAR1PTPN1ALDH1A1MPO
SCHEMBL21970560 0.75 SKP2 (0.50) TDP1CYP3A4TAAR1ALDH1A1
SCHEMBL9610058 0.74 SKP2 (0.53) TDP1CYP3A4PARP1ALDH1A1CASP1
SCHEMBL21087071 0.74 DAO (0.44) TDP1ACHETAAR1PTPN1ALDH1A1

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 TDP1 2021/4885CYP3A4 638/4885ACHE 599/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 TDP1 2021/4885CYP3A4 638/4885ACHE 599/4885

“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.