SCHEMBL6783759

SCHEMBL6783759

O=c1c2cccnc2n(C(CCCCF)c2nc3ccccc3[nH]2)c(=O)n1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PDE10A Q9Y233 2/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CXCR3 P49682 1/20 0.33
CDK4 P11802 1/20 0.33
POLB P06746 1/20 0.32
TPH1 P17752 1/20 0.32
TPH2 Q8IWU9 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 2/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL6480123 0.86 CYP2C19 (0.39) ALDH1A1SMN1; SMN2POLBGAAKDM4E
SCHEMBL6247453 0.77 NPSR1 (0.38) ALDH1A1SMN1; SMN2POLBTSHRKDM4E
SCHEMBL6479798 0.73 TNKS (0.34) TNKSPARP1PARP2ALDH1A1MAPT
SCHEMBL3822778 0.70 CYP3A4 (0.51) TNKSPDE10AALDH1A1SMN1; SMN2TSHR
SCHEMBL6783757 0.68 CYP3A4 (0.54) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6491890 0.68 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2POLBTSHRKDM4E
SCHEMBL6264030 0.66 SLC6A2 (0.35) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6481697 0.65 ALDH1A1 (0.39) ALDH1A1MAPTKMT2ACXCR3POLB
SCHEMBL6242054 0.64 TSHR (0.35) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6480797 0.64 ALDH1A1 (0.40) PDE10AALDH1A1MAPTKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 787/4885PARP1 657/4885PARP2 824/4885
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 TNKS 787/4885PARP1 657/4885PARP2 824/4885

“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.