SCHEMBL6489601

SCHEMBL6489601

Cc1cc(-c2cccc(C(=O)O)n2)cc2c1nc(C)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
PIK3C2B O00750 2/20 0.41
PPARG P37231 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCR2 P41597 1/20 0.38
PTGER1 P34995 2/20 0.38
VDR P11473 1/20 0.37
AKR1B10 O60218 1/20 0.37
DCTPP1 Q9H773 1/20 0.37

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
SCHEMBL6489353 0.88 PIK3C2B (0.38) MRGPRX4PIK3C2BLMNASMN1; SMN2PTGER1
SCHEMBL6490645 0.84 PTGDR (0.44) NPSR1MRGPRX4CYP1A2CYP3A4CYP2D6
SCHEMBL6502432 0.82 PPARG (0.42) NPSR1MRGPRX4CYP1A2CYP3A4CYP2D6
SCHEMBL6494714 0.82 KDM4C (0.44) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6498704 0.81 P2RX3 (0.45) MRGPRX4PPARGLMNASMN1; SMN2PTGER1
SCHEMBL6172911 0.81 PPARG (0.48) NPSR1MRGPRX4CYP1A2CYP3A4CYP2D6
SCHEMBL6490742 0.80 CYP1A2 (0.38) CYP1A2PIK3C2BLMNASMN1; SMN2HPGD
SCHEMBL7172666 0.80 PIK3C2B (0.42) NPSR1MRGPRX4CYP1A2CYP3A4CYP2D6
SCHEMBL6498703 0.79 LMNA (0.39) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6489619 0.79 PIK3C2B (0.41) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9

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 NPSR1 4348/4885MRGPRX4 2443/4885CYP1A2 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.