SCHEMBL6491606

SCHEMBL6491606

Cc1cc(COc2cccc(C(=O)O)n2)cc2c1nc(C)n2Cc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.41
P2RX3 P56373 5/20 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 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTGER1 P34995 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 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
SCHEMBL6488312 0.92 P2RX3 (0.42) MRGPRX4P2RX3CYP1A2CYP3A4CYP2D6
SCHEMBL6488333 0.86 MRGPRX4 (0.43) MRGPRX4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6502236 0.84 MRGPRX4 (0.39) MRGPRX4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7197594 0.81 MRGPRX4 (0.39) MRGPRX4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6489573 0.81 MAOB (0.39) MRGPRX4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6498704 0.80 P2RX3 (0.45) MRGPRX4P2RX3PTGER1
SCHEMBL6497968 0.79 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C19GLA
SCHEMBL6502677 0.78 P2RX3 (0.40) MRGPRX4P2RX3PTGER1
SCHEMBL7192439 0.78 MRGPRX4 (0.40) MRGPRX4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6488927 0.78 MRGPRX4 (0.44) MRGPRX4CYP1A2CYP3A4CYP2D6CYP2C19

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 2443/4885P2RX3 2660/4885CYP1A2 247/4885

“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.