SCHEMBL4752463

SCHEMBL4752463

FC(F)(F)c1cccc2c1N=C[N]2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.34
MPL P40238 3/20 0.33
PNMT P11086 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
PARP1 P09874 1/20 0.31
HSD11B1 P28845 1/20 0.31
KIF11 P52732 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
P2RX7 Q99572 1/20 0.30
CES1 P23141 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
SCHEMBL2534593 0.84 AXL (0.38) AXLMPLPNMTTAAR1PARP1
SCHEMBL1491322 0.68 ALDH1A1 (0.36) ALDH1A1POLBTDP1L3MBTL1
SCHEMBL4752477 0.68 TRPA1 (0.36)
SCHEMBL2977865 0.68 CYP3A4 (0.35) ALDH1A1POLBTDP1
SCHEMBL2979302 0.68 CYP2A6 (0.35) ALDH1A1
SCHEMBL5603316 0.68 CYP1A2 (0.37) AXLHSD11B1KIF11ALDH1A1POLB
SCHEMBL5600573 0.67 HSD11B1 (0.41) MPLHSD11B1CES1
SCHEMBL5603289 0.65 HSD11B1 (0.36) AXLMPLPARP1HSD11B1KIF11
SCHEMBL29441997 0.61 ALDH1A1 (0.52) HSD11B1KIF11ALDH1A1POLBTDP1
SCHEMBL63469 0.61 ALDH1A1 (0.52) HSD11B1KIF11ALDH1A1POLBTDP1

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-20200079801-A1 TRISUBSTITUTEDSILYLBENZYLBENZIMIDAZOLES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 US disclosed
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 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-20200079801-A1 TRISUBSTITUTEDSILYLBENZYLBENZIMIDAZOLES AND ANALOGUES PIK3C3, DPM1, ERG28 AXL 2077/4885MPL 4548/4885PNMT 565/4885

“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.