SCHEMBL2873256

SCHEMBL2873256

CC1c2ccccc2NC(=O)N1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 5/20 0.38
▸ CREBBP Q92793 5/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HTR5A P47898 4/20 0.37
▸ EP300 Q09472 1/20 0.37
▸ BRPF1 P55201 1/20 0.36
▸ PARP1 P09874 2/20 0.35
▸ IDO1 P14902 1/20 0.35

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
SCHEMBL17803169 0.91 HTR2C (0.41) BRD4CREBBPALDH1A1HTR5A
SCHEMBL17803176 0.84 OPRL1 (0.53) —
SCHEMBL29915930 0.75 HTR5A (0.43) BRD4CREBBPALDH1A1HTR5AEP300
SCHEMBL2520126 0.75 HTR5A (0.43) BRD4CREBBPALDH1A1HTR5AEP300
Hydrochloric Acid SCHEMBL5711485 0.74 HTR5A (0.42) BRD4CREBBPALDH1A1HTR5AEP300
SCHEMBL5100205 0.72 HTR2C (0.39) BRD4CREBBPALDH1A1IDO1
SCHEMBL8564042 0.71 CHRM2 (0.43) BRD4CREBBPALDH1A1
SCHEMBL11012515 0.71 MAPT (0.37) BRD4CREBBPHTR5ABRPF1IDO1
SCHEMBL5103372 0.70 SLC18A3 (0.40) ALDH1A1
Hydrochloric Acid SCHEMBL8571208 0.69 KDM1A (0.40) ALDH1A1

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 5 patents. 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
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 — — US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 — — US disclosed
WO-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 — — WO disclosed
WO-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 — — WO 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 BRD4 2766/4885CREBBP 4343/4885ALDH1A1 2596/4885

“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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