SCHEMBL6246742

SCHEMBL6246742

COc1cc(=O)n(Cc2nc3cc(CN)ccc3n2CCCCO)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 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
SCHEMBL6257573 0.93 TSHR (0.38) ALDH1A1TDP1JAK2JAK1TYK2
SCHEMBL6242389 0.85 GNRHR (0.39) ALDH1A1TDP1SMN1; SMN2HDAC1HDAC8
SCHEMBL7746317 0.82 MEN1 (0.43) ALDH1A1TDP1SMN1; SMN2AGTR1AGTR2
SCHEMBL6243389 0.80 GNRHR (0.41) ALDH1A1SMN1; SMN2LMNA
SCHEMBL6504017 0.78 CYP3A4 (0.42) CYP3A4SMN1; SMN2HDAC1HDAC8
SCHEMBL6274097 0.78 CYP3A4 (0.58) ALDH1A1CYP3A4SMN1; SMN2HDAC1HDAC8
SCHEMBL6219935 0.76 MEN1 (0.42) ALDH1A1TDP1HDAC1HDAC8
SCHEMBL6222254 0.76 TP53 (0.38) ALDH1A1SMN1; SMN2LMNA
SCHEMBL6489815 0.74 MEN1 (0.38) CYP3A4HDAC1HDAC8JAK2JAK1
SCHEMBL6493197 0.73 TP53 (0.35) SMN1; SMN2

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-6919331-B2 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
EP-1461035-A4 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-04-06 EP disclosed
EP-1461035-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2004-09-29 EP disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 US disclosed
WO-2003053344-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 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-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 3132/4885TDP1 3829/4885CYP3A4 215/4885

“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.