SCHEMBL6502176

SCHEMBL6502176

C[C@H](NC(=O)C=Cc1ccccc1)c1cccc(Oc2ccncc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
LMNA P02545 1/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP19A1 P11511 1/20 0.53
PTGS1 P23219 2/20 0.47
ROCK1 Q13464 4/20 0.47
ROCK2 O75116 3/20 0.47
PRKG1 Q13976 2/20 0.47
CYP2D6 P10635 2/20 0.47
PRKACA P17612 2/20 0.47
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
PRKX P51817 2/20 0.47
PRKCQ Q04759 2/20 0.47
CHEK1 O14757 1/20 0.47
RPS6KA5 O75582 1/20 0.47

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
SCHEMBL6502179 1.00 TDP1 (0.62) TDP1LMNACYP3A4CYP2C9KCNQ3
SCHEMBL6486435 0.92 TDP1 (0.50) TDP1LMNACYP3A4CYP2C9KCNQ3
SCHEMBL6486441 0.92 TDP1 (0.50) TDP1LMNACYP3A4CYP2C9KCNQ3
SCHEMBL6486443 0.92 TDP1 (0.50) TDP1LMNACYP3A4CYP2C9KCNQ3
SCHEMBL6203536 0.91 TDP1 (0.49) TDP1LMNACYP3A4CYP2C9KCNQ3
SCHEMBL6488900 0.91 TDP1 (0.49) TDP1LMNACYP3A4CYP2C9KCNQ3
SCHEMBL6203531 0.91 TDP1 (0.49) TDP1LMNACYP3A4CYP2C9KCNQ3
SCHEMBL6488897 0.91 TDP1 (0.49) TDP1LMNACYP3A4CYP2C9KCNQ3
SCHEMBL6488892 0.91 TDP1 (0.49) TDP1LMNACYP3A4CYP2C9KCNQ3
SCHEMBL6200008 0.91 TDP1 (0.49) TDP1LMNACYP3A4CYP2C9KCNQ3

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-6900210-B2 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-31 US disclosed
US-20040102449-A1 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-05-27 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-20040102449-A1 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers KCNQ5, KCNQ2, KCNQ3 TDP1 4075/4885LMNA 1434/4885CYP3A4 564/4885

“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.