SCHEMBL30294656

SCHEMBL30294656

CCOC(=O)c1cc(C(F)(F)F)ccc1Nc1ccc(F)cc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
THRB P10828 1/20 0.41
MPO P05164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CDC25B P30305 2/20 0.40
TSHR P16473 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
LRRK2 Q5S007 1/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL22853053 1.00 MRGPRX4 (0.42) MRGPRX4CYP1A2CYP2C9CYP2C19THRB
SCHEMBL30294715 0.93 KDM4E (0.42) MRGPRX4CYP1A2CYP2C9CYP2C19THRB
SCHEMBL22853359 0.93 KDM4E (0.42) MRGPRX4CYP1A2CYP2C9CYP2C19THRB
SCHEMBL22853414 0.86 MRGPRX4 (0.45) MRGPRX4CYP1A2CYP2C9CYP2C19THRB
SCHEMBL30294513 0.86 MRGPRX4 (0.45) MRGPRX4CYP1A2CYP2C9CYP2C19THRB
SCHEMBL22852871 0.84 MPO (0.57) MPOTAS2R14
SCHEMBL30294370 0.84 MPO (0.57) MPOTAS2R14
SCHEMBL22853040 0.83 CDC25B (0.48) MRGPRX4CYP1A2CYP2C9CYP2C19THRB
SCHEMBL30294858 0.83 CDC25B (0.48) MRGPRX4CYP1A2CYP2C9CYP2C19THRB
SCHEMBL22853045 0.81 MAP2K2 (0.43) CYP1A2CYP2C9CYP2C19KDM4ELMNA

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-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-06 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-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS SCN8A, SCN1A, SCN1B MRGPRX4 510/4885CYP1A2 1465/4885CYP2C9 1451/4885

“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.