SCHEMBL6502236

SCHEMBL6502236

Cc1cc(-c2cccc(C(=O)O)n2)cc2c1nc(C)n2Cc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
GLA P06280 2/20 0.39
PTGER1 P34995 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
HPGD P15428 1/20 0.36
GRIN2B Q13224 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL6490031 0.90 MEN1 (0.37) MRGPRX4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7199966 0.86 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C19GLA
SCHEMBL6488927 0.86 MRGPRX4 (0.44) MRGPRX4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6488962 0.85 MRGPRX4 (0.41) MRGPRX4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6490617 0.84 DCTPP1 (0.43) MRGPRX4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6491606 0.84 MRGPRX4 (0.41) MRGPRX4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7195728 0.83 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C19GLA
SCHEMBL7200308 0.81 CYP3A4 (0.37) MRGPRX4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6489988 0.80 DCTPP1 (0.40) MRGPRX4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6490408 0.79 JMJD6 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19POLB

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-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD MRGPRX4 2443/4885CYP1A2 247/4885CYP3A4 30/4885

“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.