SCHEMBL5089062

SCHEMBL5089062

Cc1cc(C(=O)N2CCCC2)c(C)cc1NC(=O)Cc1cc(C(=N)N)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.48
PRSS1 P07477 6/20 0.48
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KLK1 P06870 1/20 0.39
KLK5 Q9Y337 1/20 0.39
F2 P00734 4/20 0.38
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
RAD52 P43351 1/20 0.36

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
Hydrochloric Acid SCHEMBL5091339 0.99 F10 (0.47) F10PRSS1ALDH1A1LMNAHPGD
SCHEMBL2997836 0.86 F10 (0.55) F10PRSS1ALDH1A1LMNAHPGD
SCHEMBL5094210 0.85 F10 (0.54) F10PRSS1ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL5089043 0.85 F10 (0.54) F10PRSS1ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL5099667 0.85 F10 (0.53) F10PRSS1ALDH1A1LMNAHPGD
SCHEMBL7560895 0.83 F10 (0.46) F10PRSS1ALDH1A1LMNAHPGD
SCHEMBL7563218 0.83 F10 (0.46) F10PRSS1ALDH1A1LMNAHPGD
SCHEMBL5098937 0.82 NPC1 (0.42) F10PRSS1ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL7560857 0.82 F10 (0.45) F10PRSS1ALDH1A1LMNAHPGD
SCHEMBL7114691 0.80 F10 (0.54) F10PRSS1ALDH1A1LMNAHPGD

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-7425641-B2 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-09-16 US claimed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 US claimed

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-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 F10 23/4885PRSS1 957/4885ALDH1A1 262/4885

“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.