SCHEMBL3586838

SCHEMBL3586838

CCCC(C)Nc1ccc(-c2ncccc2C(=O)O)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC22A12 Q96S37 1/20 0.37
MAOB P27338 1/20 0.37
DHODH Q02127 1/20 0.36
HCAR3 P49019 1/20 0.35
BACE1 P56817 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
SCHEMBL3591178 0.89 KDM4E (0.43) KDM4ETDP1
SCHEMBL3581488 0.78 XDH (0.43) XDHADRB2ADRB1ADRB3KDM4E
SCHEMBL13545903 0.76 KDM4E (0.51) XDHKDM4ETDP1SLC22A12
SCHEMBL3583816 0.75 XDH (0.66) XDHSLC22A12
SCHEMBL3586842 0.75 KDM4E (0.40) XDHKDM4ETDP1
SCHEMBL3581421 0.73 ALDH1A1 (0.61) XDH
SCHEMBL3592443 0.73 F11 (0.51) XDHKDM4ETDP1SLC22A12
SCHEMBL3593142 0.73 XDH (0.48) XDHSLC22A12
SCHEMBL3584954 0.71 XDH (0.48) XDHSLC22A12
SCHEMBL3587212 0.71 XDH (0.46) XDHSLC22A12

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 XDH 1/4885ADRB2 2488/4885ADRB1 2496/4885

“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.