SCHEMBL4187749

SCHEMBL4187749

O=c1c(-c2ccc(NCc3ccccc3)cc2)coc2cc(O)ccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.69
ALDH1A1 P00352 7/20 0.69
NPC1 O15118 6/20 0.69
RAB9A P51151 6/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
POLB P06746 2/20 0.69
NPSR1 Q6W5P4 1/20 0.69
HSD17B10 Q99714 6/20 0.64
HPGD P15428 5/20 0.64
MAPT P10636 5/20 0.64
MAOA P21397 5/20 0.64
MAOB P27338 5/20 0.64
ALDH2 P05091 5/20 0.64
TP53 P04637 3/20 0.64
CYP3A4 P08684 3/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
CA12 O43570 1/20 0.64

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
SCHEMBL13774690 0.89 KDM4E (0.66) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13774693 0.88 KDM4E (0.59) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4173475 0.84 KDM4E (0.78) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4177677 0.84 KDM4E (0.59) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
7-Hydroxy Isoflavone SCHEMBL762528 0.83 KDM4E (1.00) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4191666 0.82 PPARG (0.70) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13774689 0.81 ALDH2 (0.66) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
7-Hydroxy Isoflavone SCHEMBL5803559 0.80 KDM4E (0.94) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
Daidzein SCHEMBL19814 0.80 KDM4E (1.00) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
Daidzein SCHEMBL21114371 0.80 KDM4E (1.00) KDM4EALDH1A1NPC1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192152-A1 Novel Antigiardial Agents and Methods of Use Thereof UNIVERSITY OF MISSISSIPPI 2009-07-30 US disclosed
US-7468445-B2 Antigiardial agents and use thereof UNIVERSITY OF MISSISSIPPI (US) 2008-12-23 US disclosed
US-20060106091-A1 Antigiardial agents and use thereof THE UNIVERSITY OF MISSISSIPPI 2006-05-18 US disclosed
WO-2004014886-A1 ANTIGIARDIAL AGENTS AND USE THEREOF UNIVERSITY OF MISSISSIPPI (US) 2004-02-19 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 (2 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-20060106091-A1 Antigiardial agents and use thereof GPER1, ENPP2, ALPI KDM4E 2433/4885ALDH1A1 2026/4885NPC1 182/4885
US-20090192152-A1 Novel Antigiardial Agents and Methods of Use Thereof ENPP2, GPER1, ALPI KDM4E 2954/4885ALDH1A1 2472/4885NPC1 131/4885

“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.