SCHEMBL17356391

SCHEMBL17356391

CC(=O)c1cccc(COc2n[nH]c(=O)c3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ PARP1 P09874 10/20 0.48
▸ ALPL P05186 1/20 0.46
▸ ALPI P09923 1/20 0.46
▸ ALPG P10696 1/20 0.46
▸ MAOA P21397 1/20 0.45
▸ MRGPRX4 Q96LA9 2/20 0.45

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
SCHEMBL15001764 0.89 MRGPRX4 (0.55) HPGDPARP1MRGPRX4
SCHEMBL16488686 0.88 CYP4F2 (0.47) PARP1MRGPRX4
SCHEMBL15002582 0.86 KDM4E (0.56) ALDH1A1PARP1MRGPRX4
SCHEMBL15001698 0.84 PARP1 (0.60) PARP1
SCHEMBL19184571 0.82 PARP1 (0.61) ALDH1A1HPGDPARP1
SCHEMBL15002417 0.81 PARP1 (0.58) PARP1
SCHEMBL17356392 0.79 PARP1 (0.52) MAOBALDH1A1HPGDPARP1ALPL
SCHEMBL16207560 0.78 PARP1 (0.72) ALDH1A1HPGDPARP1
SCHEMBL19998367 0.78 MAOA (0.47) MAOBPARP1MAOA
SCHEMBL16215129 0.78 PARP1 (0.67) PARP1

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-9718787-B2 Poly (ADP-ribose) polymerase inhibitor CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-08-01 — — US disclosed
US-20150368205-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-12-24 — — 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-20150368205-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR PARP1, PARP2, PARP11 MAOB 1138/4885ALDH1A1 607/4885HPGD 509/4885

“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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