SCHEMBL13041635

SCHEMBL13041635

COCCN1Cc2ccccc2N(C(C)C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.43
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ GAA P10253 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ IDH1 O75874 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ GLA P06280 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
SCHEMBL13041630 0.85 ALDH1A1 (0.43) PARP1ALDH1A1KMT2ACYP2D6CYP2C9
SCHEMBL13041625 0.83 ALDH1A1 (0.39) PARP1ALDH1A1SMN1; SMN2
SCHEMBL13041634 0.81 PARP1 (0.43) PARP1HDAC6ALDH1A1GAAKMT2A
SCHEMBL13041643 0.81 ALOX15 (0.36) ALDH1A1KMT2ACYP2D6CYP2C9SMN1; SMN2
SCHEMBL13041639 0.80 PARP1 (0.43) PARP1HDAC1ALDH1A1CYP2D6CYP2C9
SCHEMBL13041640 0.78 PARP1 (0.44) PARP1PARP2
SCHEMBL13041631 0.78 ENPP2 (0.51) PARP1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL13041641 0.77 BRD4 (0.41) PARP1ALDH1A1SMN1; SMN2
SCHEMBL13015326 0.76 BRD4 (0.42) PARP1ALDH1A1KMT2AMAPK1CYP2D6
SCHEMBL13041644 0.74 OPRL1 (0.42) KMT2AMAPTNPSR1

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-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 — — 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 PARP1 3310/4885HDAC1 4126/4885HDAC8 4383/4885

“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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