SCHEMBL6479798

SCHEMBL6479798

O=c1c2ccccc2n(C(CCCc2ncon2)c2nc3ccccc3[nH]2)c(=O)n1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 9/20 0.34
PARP2 Q9UGN5 8/20 0.34
PARP1 P09874 7/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KLK7 P49862 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL6783759 0.73 TNKS (0.38) TNKSPARP2PARP1TSHRHTT
SCHEMBL6247453 0.73 NPSR1 (0.38) SLC6A2SLC6A4TSHRALDH1A1SMN1; SMN2
SCHEMBL6274099 0.73 NPSR1 (0.34) TNKSSLC6A2SLC6A4TSHRALDH1A1
SCHEMBL6479793 0.72 CYP3A4 (0.50) TSHRALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL6242054 0.70 TSHR (0.35) SLC6A2SLC6A4TSHRALDH1A1SMN1; SMN2
SCHEMBL6264030 0.70 SLC6A2 (0.35) SLC6A2SLC6A4TSHRALDH1A1SMN1; SMN2
SCHEMBL6245027 0.70 SLC6A2 (0.40) SLC6A2SLC6A4TSHRALDH1A1SMN1; SMN2
SCHEMBL3822778 0.68 CYP3A4 (0.51) TNKSSLC6A2SLC6A4TSHRALDH1A1
SCHEMBL3824238 0.62 SLC6A2 (0.43) SLC6A2SLC6A4HTTALDH1A1SMN1; SMN2
SCHEMBL6492137 0.59 SLC6A2 (0.35) SLC6A2SMN1; SMN2KDM4EKLK7MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844342-B2 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-18 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents YU KUO-LONG (US) 2004-04-08 US disclosed
US-20020099208-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2002-07-25 US 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 (2 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-20020099208-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 TNKS 787/4885PARP2 824/4885PARP1 657/4885
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 TNKS 787/4885PARP2 824/4885PARP1 657/4885

“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.