SCHEMBL6823073

SCHEMBL6823073

NCc1ccc(OCc2ccccc2)c(C(Cc2ccccc2)C(=O)Nc2ccc(C(=O)N3CCCC3)c(C(F)(F)F)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2B P41595 1/20 0.36
MAPK14 Q16539 1/20 0.36
ACP1 P24666 1/20 0.36
PTPN12 Q05209 1/20 0.36
PTPN13 Q12923 1/20 0.36
SSU72 Q9NP77 1/20 0.36
LRRK2 Q5S007 1/20 0.36
MET P08581 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SCN9A Q15858 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
SCHEMBL6819055 0.89 F10 (0.44)
Hydrochloric Acid SCHEMBL6841506 0.88 F10 (0.44)
SCHEMBL6820142 0.88 CYP2C9 (0.39) CYP2C9CYP2C19HTR2BMAPK14SMN1; SMN2
Hydrochloric Acid SCHEMBL6818983 0.82 F9 (0.43) KLKB1LRRK2MET
SCHEMBL3000890 0.77 F9 (0.45) SMN1; SMN2
Hydrochloric Acid SCHEMBL6841650 0.76 F9 (0.45) SMN1; SMN2
SCHEMBL6834989 0.76 SMN1; SMN2 (0.38) KLKB1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL7124454 0.72 MET (0.45) LRRK2MET
SCHEMBL7160217 0.70 P2RX4 (0.44) METSCN9A
SCHEMBL2103319 0.70 PTGER1 (0.48) CYP2C9SCN9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077729-A1 New carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-22 US disclosed
WO-2004013115-A2 CARBOXAMIDES, PRODUCTION AND USE THEREOF AS MEDICAMENTS____ BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-02-12 WO 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-20040077729-A1 New carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F2, F11, F12 KLKB1 1564/4885CYP2C9 50/4885CYP2C19 58/4885

“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.