SCHEMBL6873756

SCHEMBL6873756

O=Cc1c(I)ccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ERN1 O75460 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL30660567 1.00 CYP2C9 (0.34) CYP2C9CYP3A4CYP2C19ERN1CES2
SCHEMBL11992946 0.82 CYP2C9 (0.41) CYP2C9CYP3A4CYP2C19ERN1CYP2D6
SCHEMBL415893 0.80 CYP2C9 (0.46) CYP2C9CYP3A4CYP2C19ERN1CES2
SCHEMBL31685229 0.80 CYP2C9 (0.46) CYP2C9CYP3A4CYP2C19ERN1CES2
SCHEMBL16825605 0.78 ERN1 (0.31) ERN1
SCHEMBL16936373 0.78 ERN1 (0.34) ERN1
SCHEMBL15273920 0.78 MEN1 (0.37) ERN1MEN1ALDH1A1KMT2ATDP1
SCHEMBL31035827 0.78 ERN1 (0.34) ERN1
SCHEMBL6723791 0.75 KIF11 (0.39) CYP2C9CYP2D6
SCHEMBL1816745 0.74 ERN1 (0.43) CYP2C9CYP3A4CYP2C19ERN1CES2

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
US-20250368647-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2025-12-04 US disclosed
WO-2023238065-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-12-14 WO disclosed
US-6811832-B2 AGROCHEMICALS, ELECTRONICS, DRUGS CLARIANT GMBH (DE) 2004-11-02 US disclosed
US-20010050352-A1 Agrochemicals, electronics, drugs CLARIANT GMBH 2001-12-13 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 (2 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-20250368647-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN5A CYP2C9 830/4885CYP3A4 2616/4885CYP2C19 1987/4885
US-20010050352-A1 Agrochemicals, electronics, drugs AFF1, FPR1, CYP2F1 CYP2C9 38/4885CYP3A4 117/4885CYP2C19 35/4885

“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.