SCHEMBL6821689

SCHEMBL6821689

N#Cc1cncc(Oc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.56
LTA4H P09960 1/20 0.43
TSHR P16473 1/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHEK2 O96017 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM5 P41594 2/20 0.42
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
CYP3A4 P08684 2/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
VEGFA P15692 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL2196501 0.86 CYP19A1 (0.71) CYP19A1ALDH1A1SMN1; SMN2GRM5
SCHEMBL2425876 0.83 CYP3A4 (0.50) CYP19A1CHRNB2CHRNA4ALDH1A1GRM5
SCHEMBL876009 0.79 CYP19A1 (0.45) CYP19A1ALDH1A1SMN1; SMN2GRM5CYP3A4
SCHEMBL876496 0.79 LTA4H (0.46) CYP19A1LTA4HGRM5CYP3A4VEGFA
Water SCHEMBL29061097 0.77 PGR (0.55) CYP19A1LTA4HTSHRCHEK2ALDH1A1
SCHEMBL7186441 0.77 PGR (0.55) CYP19A1LTA4HTSHRCHEK2ALDH1A1
SCHEMBL30358273 0.77 PGR (0.55) CYP19A1LTA4HTSHRCHEK2ALDH1A1
SCHEMBL12458014 0.77 MAOB (0.63) CHRNB2CHRNA4SMN1; SMN2
Diphenylether SCHEMBL4188767 0.76 TSHR (0.70) CYP19A1LTA4HTSHRCHEK2SMN1; SMN2
SCHEMBL23087866 0.76 GRM5 (0.46) CYP19A1ALDH1A1SMN1; SMN2GRM5VEGFA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 CYP19A1 869/4885LTA4H 1376/4885TSHR 3622/4885

“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.