SCHEMBL2522683

SCHEMBL2522683

C=CCOc1ccc(CCl)c2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
MAPK1 P28482 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HTT P42858 2/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.38
ALOX12 P18054 2/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 2/20 0.37
BRD4 O60885 2/20 0.36
POLB P06746 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
SCHEMBL1812882 0.82 KDM4E (0.56) KDM4EMAPK1NPC1RAB9AHTT
Hydrochloric Acid SCHEMBL637296 0.78 MAOA (0.56) KDM4EMAPK1MAOAMAOBNPC1
SCHEMBL112362 0.77 BRD4 (0.45) KDM4EMAPK1MAOAMAOBNPC1
SCHEMBL574340 0.72 MAPT (0.55) KDM4EMAPK1NPC1RAB9AGAA
SCHEMBL1178398 0.72 TSHR (0.41) KDM4EMAPK1NPC1RAB9AGAA
SCHEMBL112225 0.71 KDM4E (0.51) KDM4EHTTGAASMN1; SMN2L3MBTL1
SCHEMBL10366733 0.71 MAPT (0.44) KDM4EMAPK1HTTGAALMNA
SCHEMBL10366160 0.71 PSMD14 (0.53) KDM4EMAPK1HTTGAASMN1; SMN2
SCHEMBL112193 0.70 KDM4E (0.74) KDM4ENPC1RAB9AHTTGAA
SCHEMBL1652184 0.70 ALDH1A1 (0.53) KDM4EMAPK1NPC1RAB9AHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300847-A PPAR agonist compositions and methods of use thereof 2011-12-28 CN disclosed
EP-2382193-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE Biopharmed (FR) 2011-11-02 EP disclosed
US-20110251238-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE BIOPHARMED (FR) 2011-10-13 US disclosed
WO-2010073235-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE BIOPHARMED (FR) 2010-07-01 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-20110251238-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE PPARA, PPARG, PPARD KDM4E 4239/4885MAPK1 3771/4885MAOA 2451/4885

“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.