SCHEMBL12641962

SCHEMBL12641962

Cc1ccc(-c2cc(C=O)n(C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.43
▸ BRD9 Q9H8M2 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CYP2A6 P11509 2/20 0.39
▸ TRIM24 O15164 1/20 0.38
▸ TRIM33 Q9UPN9 1/20 0.38
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ DUSP3 P51452 1/20 0.36

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
SCHEMBL31585892 0.83 BRD4 (0.58) BRD4BRD9ATMTRIM24TRIM33
SCHEMBL16271028 0.76 — —
SCHEMBL24556579 0.76 BRD4 (0.73) BRD4BRD9ALDH1A1KDM4EGAA
SCHEMBL6870791 0.72 RARA (0.44) ATM
SCHEMBL31586581 0.71 BRD4 (0.49) BRD4ATMCYP2A6TRIM24TRIM33
SCHEMBL12582221 0.69 CCNC (0.49) BRD4BRD9SMN1; SMN2ALDH1A1KDM4E
SCHEMBL16573986 0.68 BRD4 (0.50) BRD4
SCHEMBL27296171 0.68 CCNC (0.69) BRD4BRD9
SCHEMBL2072144 0.67 HDAC8 (0.58) ATMCYP2A6TRIM24TRIM33HDAC8
SCHEMBL13244689 0.67 CYP2A6 (0.40) BRD4BRD9CYP2A6ALDH1A1KDM4E

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-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2011-06-30 — — 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-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS PCNA, POLL, XPA BRD4 556/4885BRD9 348/4885ATM 1962/4885

“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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