SCHEMBL8248653

SCHEMBL8248653

NC/C(=C/F)COc1cccc(Cl)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.60
AOC2 O75106 6/20 0.60
MAOA P21397 6/20 0.60
DAO P14920 2/20 0.54
AOC3 Q16853 9/20 0.46
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
HTR1D P28221 2/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3505391 0.88 AOC2 (0.68) MAOBAOC2MAOADAOAOC3
SCHEMBL1282141 0.76 AOC2 (0.64) MAOBAOC2MAOADAOAOC3
SCHEMBL1282142 0.76 AOC2 (0.64) MAOBAOC2MAOADAOAOC3
SCHEMBL3505054 0.76 TDP1 (0.54) MAOBAOC2MAOADAOAOC3
SCHEMBL10615833 0.76 TDP1 (0.54) MAOBAOC2MAOADAOAOC3
SCHEMBL10615963 0.76 TDP1 (0.54) MAOBAOC2MAOADAOAOC3
SCHEMBL3505446 0.75 MAOB (0.62) MAOBAOC2MAOADAOAOC3
SCHEMBL9195201 0.72 HTT (0.53) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL6203335 0.72 HTT (0.53) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL9194779 0.72 WDR5 (0.51) TP53CYP1A2CYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO 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-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885AOC2 146/4885MAOA 2/4885

“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.