SCHEMBL6219935

SCHEMBL6219935

CCc1nn(Cc2nc3cc(CN)ccc3n2CCCCO)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
MPO P05164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 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
SCHEMBL6489815 0.84 MEN1 (0.38) MEN1KMT2APOLBTSHRKDM4E
SCHEMBL6243670 0.82 CYP2D6 (0.42) MEN1KMT2APOLBHDAC1HDAC8
SCHEMBL6241459 0.77 MEN1 (0.41) MEN1KMT2ATDP1
SCHEMBL6246742 0.76 ALDH1A1 (0.44) HDAC1HDAC8ALDH1A1TDP1
SCHEMBL6504017 0.73 CYP3A4 (0.42) MEN1KMT2AHDAC1HDAC8
SCHEMBL6274097 0.73 CYP3A4 (0.58) MEN1KMT2APOLBTSHRKDM4E
SCHEMBL2875535 0.71 HDAC1 (0.38) HDAC1HDAC8
SCHEMBL6247154 0.69 CYP2D6 (0.41) MEN1KMT2AHDAC1HDAC8
SCHEMBL6242299 0.69 POLB (0.44) MEN1KMT2APOLBKDM4EHDAC1
SCHEMBL31069471 0.69 POLB (0.46) KMT2APOLBKDM4EHDAC1HDAC8

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 MEN1 4565/4885KMT2A 249/4885POLB 653/4885

“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.