SCHEMBL31399062

SCHEMBL31399062

COc1ccc(NC=C(C(=O)O)C(=O)c2ccc(C)c(C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 7/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 6/20 0.44
NPC1 O15118 6/20 0.44
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2C9 P11712 1/20 0.44
RAB9A P51151 5/20 0.43
PKM P14618 2/20 0.43
GAA P10253 1/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL31399070 0.86 DHODH (0.54) HTTALDH1A1HPGDKMT2APOLB
SCHEMBL29254487 0.86 DHODH (0.54) HTTALDH1A1HPGDKMT2APOLB
SCHEMBL29254491 0.85 ALDH1A1 (0.56) HTTALDH1A1HPGDKMT2AMEN1
SCHEMBL3824701 0.81 ALDH1A1 (0.59) HTTALDH1A1HPGDKMT2AMEN1
SCHEMBL1023788 0.80 CES2 (0.51) HTTALDH1A1HPGDKMT2APOLB
SCHEMBL1022147 0.80 CES2 (0.51) HTTALDH1A1HPGDKMT2APOLB
SCHEMBL1022079 0.78 MAPT (0.42) HTTALDH1A1HPGDKMT2AMEN1
SCHEMBL1022675 0.78 MAPT (0.42) HTTALDH1A1HPGDKMT2AMEN1
SCHEMBL29254474 0.76 KDM4E (0.55) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL7256742 0.75 ALDH1A1 (0.73) HTTALDH1A1HPGDKMT2AMEN1

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-20250011319-A1 SUBSTITUTED 1H-PYRAZOLO [4,3-c] QUINOLINES, METHODS OF PREPARATION, AND USE THEREOF LOMOND THERAPEUTICS, INC. 2025-01-09 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-20250011319-A1 SUBSTITUTED 1H-PYRAZOLO [4,3-c] QUINOLINES, METHODS OF PREPARATION, AND USE THEREOF FLT3, PDXK, PHKG1 HTT 2180/4885ALDH1A1 2059/4885HPGD 683/4885

“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.