SCHEMBL2232959

SCHEMBL2232959

O=Cc1ncc2[nH]ccc2c1O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.33
EGLN1 Q9GZT9 1/20 0.32
TYR P14679 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
KDM5A P29375 3/20 0.31
KDM5B Q9UGL1 1/20 0.31
ERN1 O75460 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL2232952 0.72 EGLN1 (0.32) EGLN1TYRPIK3C3HDAC6
SCHEMBL2298401 0.72 EGLN1 (0.40) EGLN1PIK3C3
SCHEMBL27679732 0.71 CYP2A6 (0.34) CYP2A6
SCHEMBL28395556 0.69 TRPA1 (0.41) CYP2A6
SCHEMBL24101630 0.69 CYP2A6 (0.40) CYP2A6TYRERN1
SCHEMBL1210280 0.68 KDM4E (0.42) ERN1
SCHEMBL1187899 0.66 CYP2A6 (0.40) CYP2A6PIK3C3
SCHEMBL2628941 0.66 NUDT1 (0.34)
SCHEMBL1219285 0.65 EGLN1 (0.61) EGLN1
Hydrogen Sulfide SCHEMBL27706806 0.64 CYP2A6 (0.39) CYP2A6PIK3C3

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-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2011-10-27 US disclosed
EP-2341904-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS Fibrogen, Inc. (US) 2011-07-13 EP disclosed
WO-2010024908-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2010-03-04 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-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS PMP22, MAG, NEFM CYP2A6 4674/4885EGLN1 2695/4885TYR 3269/4885

“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.