SCHEMBL14264173

SCHEMBL14264173

CCc1c([N+](=O)[O-])ccc2oc(=O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ CYP2A6 P11509 2/20 0.40
▸ KCNA3 P22001 1/20 0.40
▸ KCNA5 P22460 1/20 0.40
▸ PGR P06401 2/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ GAA P10253 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B3 P37058 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GLA P06280 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CYP19A1 P11511 1/20 0.37

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
SCHEMBL14264177 0.80 TDP1 (0.44) MAPTALDH1A1CYP2A6KCNA3KCNA5
SCHEMBL13799209 0.76 ALDH1A1 (0.45) MAPTALDH1A1CYP2A6MCL1MAOA
SCHEMBL29434953 0.76 MAPT (0.43) MAPTALDH1A1CYP2A6KCNA3KCNA5
SCHEMBL999018 0.76 MAPT (0.43) MAPTALDH1A1CYP2A6KCNA3KCNA5
SCHEMBL8750110 0.76 CYP2A6 (0.45) MAPTALDH1A1CYP2A6PGRMCL1
SCHEMBL14278036 0.74 ALDH1A1 (0.37) MAPTALDH1A1KCNA3KCNA5PGR
SCHEMBL14264184 0.74 CYP19A1 (0.34) MAPTALDH1A1KCNA3KCNA5CYP19A1
SCHEMBL9149685 0.72 MAPT (0.58) MAPTALDH1A1CYP2A6GAAMEN1
SCHEMBL13799205 0.72 KMT2A (0.40) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL13799210 0.72 KCNA3 (0.33) MAPTALDH1A1KCNA3KCNA5MAOA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076778-A1 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF BIPAR SCIENCES, INC. (US) 2008-03-27 — — 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-20080076778-A1 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF PARP3, PARP1, PARP15 MAPT 3488/4885ALDH1A1 1787/4885CYP2A6 2214/4885

“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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