SCHEMBL31407866

SCHEMBL31407866

Fc1ccc2nc(C(F)(F)F)c(Br)n2c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 2/20 0.43
CYP11B1 P15538 12/20 0.38
CYP11B2 P19099 12/20 0.38
SCN5A Q14524 1/20 0.37
AHR P35869 3/20 0.36
CYP19A1 P11511 1/20 0.33
P2RX7 Q99572 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL23456485 0.81 FADS1 (0.51) FADS1CYP11B1CYP11B2SCN5AAHR
SCHEMBL18135592 0.79 CYP11B1 (0.48) FADS1CYP11B1CYP11B2SCN5ACYP19A1
SCHEMBL10012248 0.74 HSD17B10 (0.50)
SCHEMBL1318734 0.70 ABL1 (0.41) CYP11B1CYP11B2GABRA1GABRB2
SCHEMBL16541131 0.68 FADS1 (0.39) FADS1CYP11B1CYP11B2SCN5ACYP19A1
SCHEMBL13946402 0.68 ABL1 (0.37) CYP11B1CYP11B2CYP19A1
SCHEMBL19723593 0.65 ANO1 (0.38) FADS1CYP11B1CYP11B2GABRA1GABRB2
SCHEMBL23994268 0.65 RXFP1 (0.41) FADS1AHR
SCHEMBL15013578 0.64 SCN5A (0.42) CYP11B1CYP11B2SCN5AAHR
SCHEMBL29381505 0.64 ENPP1 (0.37) CYP11B1CYP11B2CYP19A1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059208-A1 KRAS MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2025-02-20 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 (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-20250059208-A1 KRAS MODULATING COMPOUNDS KRAS, NRAS, HRAS FADS1 3330/4885CYP11B1 3532/4885CYP11B2 3839/4885

“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.