SCHEMBL6477100

SCHEMBL6477100

Cc1c(=O)c(Cc2ccc(F)c(F)c2)cn2nc(C(=O)NCc3ccccc3)sc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.43
CACNA1G O43497 2/20 0.42
CACNA1H O95180 2/20 0.42
CACNA1I Q9P0X4 2/20 0.42
PTGER4 P35408 1/20 0.41
TRPA1 O75762 4/20 0.40
SCD O00767 2/20 0.40
MAOB P27338 1/20 0.39
P2RX7 Q99572 1/20 0.39
ADORA2A P29274 1/20 0.39
S1PR3 Q99500 2/20 0.38
MAPT P10636 2/20 0.38
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38

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
SCHEMBL6818812 0.91 CHRM4 (0.37) CHRM4CACNA1GCACNA1HCACNA1IPTGER4
SCHEMBL6818605 0.91 ALDH1A1 (0.42) CHRM4TRPA1SCDS1PR3
SCHEMBL6485426 0.86 P2RY14 (0.36) CHRM4CACNA1GCACNA1HCACNA1ISCD
SCHEMBL6476858 0.82 TRPA1 (0.49) CHRM4CACNA1GCACNA1HCACNA1IPTGER4
SCHEMBL6478088 0.80 PTGER4 (0.41) CHRM4CACNA1GCACNA1HCACNA1IPTGER4
SCHEMBL6477648 0.80 POLB (0.42) CHRM4CACNA1GCACNA1HCACNA1IPTGER4
Picolamine SCHEMBL6818607 0.79 PLA2G7 (0.34) CACNA1GCACNA1HCACNA1ITRPA1S1PR3
Niacinamide SCHEMBL6818598 0.77 FYN (0.39) CACNA1GCACNA1HCACNA1IMAPT
SCHEMBL6288790 0.76 MAOB (0.48) CHRM4CACNA1GCACNA1HCACNA1IPTGER4
SCHEMBL6288742 0.75 MAPT (0.49) TRPA1MAPT

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
WO-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-6897223-B2 Pyridine fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-05-24 US disclosed
US-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
WO-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 CHRM4 4702/4885CACNA1G 3912/4885CACNA1H 4095/4885

“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.