SCHEMBL8594535

SCHEMBL8594535

NC(=O)c1ccnc(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
KDM5C P41229 5/20 0.46
KDM5B Q9UGL1 4/20 0.46
KDM4C Q9H3R0 3/20 0.46
KDM5A P29375 2/20 0.46
KDM5D Q9BY66 1/20 0.46
KDM4B O94953 2/20 0.45
MBOAT4 Q96T53 1/20 0.44
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
PARP10 Q53GL7 1/20 0.41
PARP1 P09874 3/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40

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
SCHEMBL30607268 1.00 CYP1A2 (0.47) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL5147899 0.85 TSHR (0.51) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL509023 0.85 CYP1A2 (0.47) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL7668183 0.85 CYP1A2 (0.47) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL5566822 0.83 CYP1A2 (0.46) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL15991431 0.83 CYP1A2 (0.46) CYP1A2POLBKDM4ELMNACYP3A4
2-Ethylisonicotinamide SCHEMBL2606610 0.83 CYP1A2 (0.69) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL2305108 0.82 KDM4C (0.57) KDM4EKDM5CKDM5BKDM4CKDM5A
SCHEMBL16115747 0.82 KDM4E (0.49) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL24690842 0.81 PKM (0.46) CYP1A2POLBKDM4ELMNACYP3A4

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-9695162-B2 Sweet flavor modifier SENOMYX, INC. (US) 2017-07-04 US disclosed
US-20170029416-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. 2017-02-02 US disclosed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 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-20170029416-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 CYP1A2 4100/4885POLB 4540/4885KDM4E 1996/4885

“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.