SCHEMBL31695370

SCHEMBL31695370

CS(=O)(=O)Nc1ccc(-c2ccc3cc(OCc4cccc(C(=O)O)c4)ccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 15/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
AR P10275 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.48
GFER P55789 1/20 0.48
PAX8 Q06710 1/20 0.48
KLF5 Q13887 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 2/20 0.47
PKM P14618 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ADAMTS4 O75173 1/20 0.46

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
SCHEMBL27361103 1.00 MRGPRX4 (0.53) MRGPRX4MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL31695373 0.89 ALOX5AP (0.43) MRGPRX4MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL27361439 0.89 ALOX5AP (0.43) MRGPRX4MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL27361097 0.86 MRGPRX4 (0.54) MRGPRX4RAB9ASMN1; SMN2TP53PKM
SCHEMBL27363026 0.85 MRGPRX4 (0.60) MRGPRX4RAB9ASMN1; SMN2NPC1POLB
SCHEMBL27363115 0.84 MRGPRX4 (0.65) MRGPRX4
SCHEMBL31695369 0.78 PTPN7 (0.54) MRGPRX4MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL27361265 0.78 PTPN7 (0.54) MRGPRX4MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL27361424 0.76 MAPT (0.42) MRGPRX4MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL16829529 0.75 MAPT (0.61) MEN1KMT2ARAB9ASMN1; SMN2NPC1

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-20250313532-A1 ALDH2 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE 2025-10-09 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-20250313532-A1 ALDH2 INHIBITORS AND METHODS OF USE THEREOF ADH1A, ALDH1A1, ADH1C MRGPRX4 4547/4885MEN1 4378/4885KMT2A 2253/4885

“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.