SCHEMBL31449599

SCHEMBL31449599

COCc1cc(=O)n2ncc(C)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.52
ALDH1A1 P00352 6/20 0.52
HSD17B10 Q99714 5/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.48
TDP1 Q9NUW8 3/20 0.46
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.42
ESR2 Q92731 1/20 0.42
MAPT P10636 4/20 0.40
CASP1 P29466 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
TSHR P16473 1/20 0.37
STAT3 P40763 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PKM P14618 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
SCHEMBL31449128 0.76 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL31449590 0.75 KDM4E (0.45) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL25311269 0.74 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL31449507 0.70 ALPI (0.46) KDM4EALDH1A1TSHR
SCHEMBL688253 0.69 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL1516428 0.67 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL25312657 0.66 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL31449486 0.65 NPC1 (0.38) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL30438007 0.65 KMT2A (0.38) KDM4EALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL9822200 0.64 KDM4E (0.41) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2

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-20250101041-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2025-03-27 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-20250101041-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM1, CHRM2 KDM4E 1876/4885ALDH1A1 3421/4885HSD17B10 4539/4885

“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.