SCHEMBL18858382

SCHEMBL18858382

CCCCN1CC(C(=O)OCC)C(=O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.59
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ RAB9A P51151 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
SCHEMBL18858378 0.87 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL14408833 0.77 MEN1 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL10473274 0.76 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL17338584 0.74 MAPT (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL20618157 0.72 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2705838 0.71 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL10908636 0.70 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHSD17B10L3MBTL1
SCHEMBL1832087 0.70 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL490810 0.70 MAPT (0.70) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL31460799 0.70 MAPT (0.70) ALDH1A1MAPTMEN1KMT2AKDM4E

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-20170137419-A1 DERIVATIVES OF 2H-PYRAZOLO[4,3-C]QUINOLIN-3(5H)-ONE AND USE THEREOF INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-05-18 — — 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-20170137419-A1 DERIVATIVES OF 2H-PYRAZOLO[4,3-C]QUINOLIN-3(5H)-ONE AND USE THEREOF CYP3A43, CYP3A5, CYP2D6 ALDH1A1 286/4885MAPT 1476/4885MEN1 3002/4885

“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.

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