SCHEMBL19685525

SCHEMBL19685525

CCc1cccc(OCc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.63
MAOA P21397 1/20 0.53
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPRB P23467 1/20 0.52
PTPN6 P29350 1/20 0.52
PTPN11 Q06124 1/20 0.52
NR4A2 P43354 1/20 0.52
SLC2A1 P11166 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50

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
SCHEMBL18164441 0.86 MAOB (0.57) MAOBMAOAPTPN2PTPN1PTPRB
SCHEMBL15833208 0.85 MAOB (0.72) MAOBMAOAPTPN2PTPN1PTPRB
SCHEMBL13462743 0.85 MRGPRX4 (0.54) MAOBPTPN2PTPN1PTPRBPTPN6
SCHEMBL5512060 0.85 MAOB (0.63) MAOBMAOAPTPN2PTPN1PTPRB
SCHEMBL5512565 0.85 MAOB (0.59) MAOBMAOAPTPN2PTPN1PTPRB
SCHEMBL19679864 0.84 MAOB (0.59) MAOBMAOAPTPN2PTPN1PTPRB
SCHEMBL10335673 0.84 MAOB (0.65) MAOBMAOAPTPN2PTPN1PTPRB
SCHEMBL791923 0.83 MAOB (0.69) MAOBMAOAPTPN2PTPN1PTPRB
SCHEMBL18003540 0.82 MAOB (0.60) MAOBMAOAPTPN2PTPN1PTPRB
SCHEMBL18002939 0.82 CYP4F2 (0.70) MAOBMAOAPTPN2PTPN1PTPRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170348258-A1 3-Amino Benzamide Derivative Serving As B-Lactam Auxiliary Antibiotic, Preparation Method and Use Thereof THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2017-12-07 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 (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-20170348258-A1 3-Amino Benzamide Derivative Serving As B-Lactam Auxiliary Antibiotic, Preparation Method and Use Thereof BCAT2, SBDS, BCAT1 MAOB 110/4885MAOA 528/4885PTPN2 4201/4885

“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.