SCHEMBL24852540

SCHEMBL24852540

NNC(=O)Cc1cc2ccccc2[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.59
ALDH1A1 P00352 7/20 0.59
HPGD P15428 3/20 0.59
MAPK1 P28482 3/20 0.55
GAA P10253 2/20 0.55
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 5/20 0.51
HSD17B10 Q99714 3/20 0.51
IL4I1 Q96RQ9 1/20 0.49
MAPT P10636 1/20 0.49
HIF1A Q16665 1/20 0.49
BRD4 O60885 1/20 0.49
DAO P14920 1/20 0.49
DDO Q99489 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL30434363 0.81 MAPK1 (0.61) KDM4EALDH1A1HPGDMAPK1NPSR1
SCHEMBL5678790 0.81 MAPK1 (0.61) KDM4EALDH1A1HPGDMAPK1NPSR1
SCHEMBL30730349 0.80 NLRP3 (0.60) KDM4EALDH1A1HPGDMAPK1GAA
SCHEMBL5498288 0.80 NLRP3 (0.60) KDM4EALDH1A1HPGDMAPK1GAA
SCHEMBL8306652 0.79 KDM4E (0.59) KDM4EALDH1A1HPGDMAPK1GAA
SCHEMBL28431176 0.77 BRD4 (0.53) KDM4EALDH1A1HPGDMAPK1NPSR1
SCHEMBL6402311 0.76 DAO (0.59) KDM4EALDH1A1HPGDMAPK1NPSR1
SCHEMBL17618004 0.76 KDM4E (0.58) KDM4EALDH1A1HPGDMAPK1GAA
SCHEMBL5473260 0.75 KDM4E (0.58) KDM4EALDH1A1HPGDMAPK1GAA
Bicarbonate SCHEMBL6993932 0.75 MAPK1 (0.61) KDM4EALDH1A1HPGDMAPK1NPSR1

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-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-29 US disclosed
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 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-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN KDM4E 878/4885ALDH1A1 648/4885HPGD 1743/4885

“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.