SCHEMBL21940318

SCHEMBL21940318

CCc1cc(C(=O)O)c2ncccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.44
PDE4A P27815 1/20 0.43
PRMT5 O14744 1/20 0.42
LMNA P02545 2/20 0.41
ALOX12 P18054 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM6B O15054 1/20 0.41
KDM6A O15550 1/20 0.41
TET3 O43151 1/20 0.41
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
TET2 Q6N021 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
TET1 Q8NFU7 1/20 0.41
FTO Q9C0B1 1/20 0.41
EGLN1 Q9GZT9 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
SCHEMBL22446381 0.83 PRMT5 (0.47) KDM4EALDH1A1PDE4APRMT5LMNA
SCHEMBL20669724 0.80 ALDH1A1 (0.47) KDM4EALDH1A1PRMT5LMNAALOX12
SCHEMBL8649365 0.78 KDM4E (0.77) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL21264274 0.78 ALDH1A1 (0.53) KDM4EALDH1A1LMNAL3MBTL1MEN1
SCHEMBL9709781 0.75 PRMT5 (0.54) PRMT5LMNA
SCHEMBL9710251 0.75 PRMT5 (0.46) KDM4EALDH1A1PRMT5LMNAALOX12
SCHEMBL29923343 0.75 PARP1 (0.52) KDM4EALDH1A1PDE4ALMNAALOX12
SCHEMBL13210067 0.71 KDM4E (0.61) KDM4EALDH1A1LMNAL3MBTL1MEN1
SCHEMBL2455911 0.71 KDM4E (0.52) KDM4EALDH1A1LMNAALOX12TDP1
SCHEMBL18484186 0.70 ALDH1A1 (0.47) KDM4EALDH1A1PDE4ALMNAALOX12

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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 KDM4E 2569/4885ALDH1A1 2016/4885PDE4A 1424/4885

“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.