SCHEMBL6274099

SCHEMBL6274099

NCc1ccc2[nH]c(C(CCCCO)n3c(=O)n(C4CC4)c(=O)c4ccccc43)nc2c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
CYP3A4 P08684 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TNKS O95271 1/20 0.30

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
SCHEMBL6247453 0.93 NPSR1 (0.38) NPSR1TSHRCRHBPCRHR2SMN1; SMN2
SCHEMBL6264030 0.89 SLC6A2 (0.35) NPSR1TSHRCRHBPCRHR2SMN1; SMN2
SCHEMBL6242054 0.84 TSHR (0.35) NPSR1TSHRCRHBPCRHR2SMN1; SMN2
SCHEMBL6245910 0.83 CYP3A4 (0.41) CYP3A4SLC6A2SLC6A4
SCHEMBL6504019 0.83 RORA (0.31) ALDH1A1
SCHEMBL6245027 0.80 SLC6A2 (0.40) NPSR1TSHRCRHBPCRHR2SMN1; SMN2
SCHEMBL6246745 0.79 ALDH1A1 (0.33) NPSR1TSHRSMN1; SMN2ALDH1A1POLB
SCHEMBL6242833 0.76 RORA (0.32)
SCHEMBL3822778 0.73 CYP3A4 (0.51) TSHRSMN1; SMN2ALDH1A1CYP3A4SLC6A2
SCHEMBL6479798 0.73 TNKS (0.34) NPSR1TSHRSMN1; SMN2ALDH1A1CYP3A4

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 NPSR1 4751/4885TSHR 3860/4885CRHBP 3298/4885

“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.