SCHEMBL30294563

SCHEMBL30294563

Cc1cc(F)ccc1Nc1cc(Br)ccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
CLCN2 P51788 1/20 0.51
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
ACLY P53396 1/20 0.43
IDO1 P14902 2/20 0.42
MKNK2 Q9HBH9 1/20 0.42
P2RY4 P51582 1/20 0.42
MAP2K1 Q02750 2/20 0.42
TDO2 P48775 1/20 0.41
KCNK2 O95069 1/20 0.41
KCNK10 P57789 1/20 0.41
METAP2 P50579 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
SCHEMBL22852829 1.00 ALDH1A1 (0.52) ALDH1A1MAPTCLCN2AKR1C3AKR1C2
SCHEMBL6035661 0.94 CLCN2 (0.54) ALDH1A1MAPTCLCN2AKR1C3AKR1C2
SCHEMBL30294548 0.83 CLCN2 (0.57) ALDH1A1MAPTCLCN2AKR1C3AKR1C2
SCHEMBL22852841 0.83 CLCN2 (0.57) ALDH1A1MAPTCLCN2AKR1C3AKR1C2
SCHEMBL22852820 0.82 IDO1 (0.44) ALDH1A1MAPTCLCN2MEN1KMT2A
SCHEMBL30294688 0.82 IDO1 (0.44) ALDH1A1MAPTCLCN2MEN1KMT2A
SCHEMBL5388933 0.82 MAPT (0.51) ALDH1A1MAPTCLCN2MEN1KMT2A
SCHEMBL22853383 0.82 P2RY4 (0.56) CLCN2AKR1C3AKR1C2MEN1KMT2A
SCHEMBL30294653 0.82 P2RY4 (0.56) CLCN2AKR1C3AKR1C2MEN1KMT2A
SCHEMBL22853121 0.81 IDO1 (0.48) ALDH1A1MAPTCLCN2MEN1KMT2A

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 ALDH1A1 3102/4885MAPT 215/4885CLCN2 192/4885

“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.