SCHEMBL15623133

SCHEMBL15623133

CC(=O)Nc1cc2cc(N)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ HRH4 Q9H3N8 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ CLK1 P49759 1/20 0.42
▸ MMP13 P45452 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HDAC2 Q92769 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PSMB8 P28062 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ ESR1 P03372 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
SCHEMBL12795487 0.83 CYP2A6 (0.46) CYP2A6KEAP1HRH4KDM4EMAPT
SCHEMBL12848262 0.83 CYP2A6 (0.46) CYP2A6KEAP1HRH4ALDH1A1MMP13
SCHEMBL4413986 0.78 MTNR1A (0.53) ALDH1A1KDM4EMAPTMTNR1AMTNR1B
SCHEMBL31487774 0.78 MTNR1A (0.53) ALDH1A1KDM4EMAPTMTNR1AMTNR1B
SCHEMBL23385240 0.78 CYP2A6 (0.58) CYP2A6KEAP1HRH4ALDH1A1KDM4E
SCHEMBL15223736 0.77 HDAC2 (0.49) HRH4MAPTHDAC2KMT2APKM
SCHEMBL12862877 0.75 HRH4 (0.58) CYP2A6KEAP1HRH4ALDH1A1MMP13
SCHEMBL10222831 0.74 MAPT (0.52) CYP2A6KEAP1HRH4ALDH1A1KDM4E
SCHEMBL15450898 0.72 HSD17B10 (0.51) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL5355854 0.72 LMNA (0.63) ALDH1A1CLK1KDM4EMAPTKMT2A

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-20150216844-A1 SUBSTITUTED CC-1065 ANALOGS AND THEIR CONJUGATES SYNTARGA B.V. (NL) 2015-08-06 — — US disclosed
US-8680293-B2 Substituted CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2014-03-25 — — 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-20150216844-A1 SUBSTITUTED CC-1065 ANALOGS AND THEIR CONJUGATES PCNA, TOP1, TOP2B CYP2A6 2339/4885KEAP1 1871/4885HRH4 3040/4885

“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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