SCHEMBL3591833

SCHEMBL3591833

CC(C)(C)CCOc1ccc(Br)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.47
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
XDH P47989 2/20 0.37
AR P10275 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL20911651 0.88 AAK1 (0.48) AAK1MAOBMAOAHPGDALDH1A1
SCHEMBL1331302 0.84 AAK1 (0.55) AAK1MAOBMAOAXDHAR
SCHEMBL7928285 0.83 HPGD (0.51) AAK1MAOBMAOAHPGDALDH1A1
SCHEMBL4456952 0.81 HPGD (0.56) AAK1MAOBMAOAHPGDALDH1A1
SCHEMBL430108 0.81 EGFR (0.47) AAK1MAOBMAOAHPGDALDH1A1
SCHEMBL27404855 0.80 ALDH1A1 (0.62) HPGDALDH1A1AR
SCHEMBL14820084 0.80 MAOB (0.45) AAK1MAOBMAOAHPGDALDH1A1
SCHEMBL392560 0.79 MAOB (0.47) AAK1MAOBMAOAHPGDALDH1A1
SCHEMBL19648612 0.79 MAOB (0.46) AAK1MAOBMAOAHPGDALDH1A1
SCHEMBL1909360 0.79 HTR7 (0.47) AAK1MAOBMAOAHPGDALDH1A1

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-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2128136-A1 2-PHENYLNICOTINIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-12-02 EP 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-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO AAK1 1888/4885MAOB 155/4885MAOA 219/4885

“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.