SCHEMBL20108980

SCHEMBL20108980

NCc1cccc(C(F)(F)F)c1CO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
IDO1 P14902 2/20 0.42
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
PNMT P11086 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP4 P27487 2/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
POLQ O75417 1/20 0.33
NR3C2 P08235 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL954859 0.82 TAAR1 (0.43) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL7521671 0.78 MAOB (0.43) MAOBIDO1ALDH1A1POLBTDP1
SCHEMBL1372734 0.77 TAAR1 (0.38) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL30313045 0.77 MAOB (0.45) MAOBIDO1ALDH1A1POLBTDP1
SCHEMBL41933 0.76 MAOB (0.47) MAOBIDO1ALDH1A1POLBTDP1
SCHEMBL28116266 0.76 PNMT (0.43) PNMTDPP4
SCHEMBL43013 0.76 IDO1 (0.61) MAOBIDO1ALDH1A1POLBTDP1
Hydrochloric Acid SCHEMBL18344819 0.76 MAOB (0.46) MAOBIDO1ALDH1A1POLBTDP1
SCHEMBL15550999 0.75 TAAR1 (0.39) IDO1ALDH1A1TDP1L3MBTL1TAAR1
SCHEMBL2776951 0.75 STIM1 (0.42) TAAR1PTGS2

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-20180118679-A1 N-Methyl Pyrazoles Prosetta Antiviral ,Inc. 2018-05-03 US disclosed
US-20180118679-A1 N-Methyl Pyrazoles Prosetta Antiviral ,Inc. 2018-05-03 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-20180118679-A1 N-Methyl Pyrazoles ZC3HAV1, MAVS, NNMT MAOB 3088/4885IDO1 973/4885ALDH1A1 3967/4885

“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.