SCHEMBL13139799

SCHEMBL13139799

Cc1ccnc(-c2ccc(-c3ccccc3)c(C#N)c2)c1F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ SQOR Q9Y6N5 1/20 0.39
▸ DGAT1 O75907 1/20 0.39
▸ GALR3 O60755 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 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
SCHEMBL13140011 0.88 TRPV1 (0.41) XDHALDH1A1KDM4ESQOR
SCHEMBL13004322 0.81 XDH (0.48) XDHALDH1A1KDM4EHTTRXFP1
SCHEMBL13140208 0.75 ALOX5AP (0.46) XDHALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL12127747 0.75 XDH (0.46) XDHALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL14184585 0.73 XDH (0.45) XDHDGAT1
SCHEMBL13140002 0.73 XDH (0.47) XDHALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL8665465 0.73 MCL1 (0.51) XDHALDH1A1KDM4EHTTRXFP1
SCHEMBL13140016 0.72 XDH (0.44) XDHALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL13004332 0.70 KDM4E (0.41) ALDH1A1KDM4ELMNADGAT1
SCHEMBL13139798 0.70 NPSR1 (0.46) XDHALDH1A1LMNACYP1A2CYP2C9

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-7816558-B2 Triarylcarboxylic acid derivative ASTELLAS PHARMA INC. (JP) 2010-10-19 — — US disclosed
US-20090018104-A1 Triarylcarboxylic Acid Derivative ASTELLAS PHARMA INC. (JP) 2009-01-15 — — 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-20090018104-A1 Triarylcarboxylic Acid Derivative XDH, NLRP3, UACA XDH 1/4885ALDH1A1 282/4885KDM4E 3271/4885

“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.

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