SCHEMBL6274097

SCHEMBL6274097

NCc1ccc2c(c1)nc(Cn1c(=O)n(C3CC3)c(=O)c3ccccc31)n2CCCCO

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
NPSR1 Q6W5P4 3/20 0.45
TSHR P16473 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL6247449 0.93 CYP3A4 (0.49) CYP3A4NPSR1TSHRCRHBPCRHR2
SCHEMBL7746055 0.88 CYP3A4 (0.72) CYP3A4NPSR1TSHRCRHBPCRHR2
SCHEMBL7891212 0.88 NPSR1 (0.46) CYP3A4NPSR1TSHRCRHBPCRHR2
SCHEMBL6264028 0.86 NPSR1 (0.45) CYP3A4NPSR1TSHRCRHBPCRHR2
SCHEMBL6245596 0.84 CYP3A4 (0.50) CYP3A4NPSR1TSHRCRHBPCRHR2
SCHEMBL6504017 0.83 CYP3A4 (0.42) CYP3A4SMN1; SMN2HDAC1HDAC8MEN1
SCHEMBL6245908 0.82 CYP3A4 (0.74) CYP3A4HDAC1HDAC8
SCHEMBL7745852 0.82 CYP3A4 (0.59) CYP3A4NPSR1TSHRCRHBPCRHR2
SCHEMBL6242050 0.81 CYP3A4 (0.46) CYP3A4NPSR1TSHRCRHBPCRHR2
SCHEMBL6243686 0.79 CYP3A4 (0.43) CYP3A4NPSR1TSHRCRHBPCRHR2

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 CYP3A4 215/4885NPSR1 4751/4885TSHR 3860/4885

“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.