SCHEMBL5114489

SCHEMBL5114489

CNC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.75
ALDH1A1 P00352 1/20 0.75
CYP1A2 P05177 1/20 0.75
CYP2C9 P11712 1/20 0.75
HPGD P15428 1/20 0.75
SRD5A2 P31213 1/20 0.75
HSD17B10 Q99714 1/20 0.75
PDGFRB P09619 2/20 0.70
PDGFRA P16234 2/20 0.70
FLT3 P36888 1/20 0.65
HDAC1 Q13547 1/20 0.63
HDAC2 Q92769 1/20 0.63
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
CFD P00746 1/20 0.57
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53

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
SCHEMBL6599162 0.86 KDM4E (0.77) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL13133298 0.86 KDM4E (0.81) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL630515 0.86 SRD5A2 (1.00) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL31159466 0.84 KDM4E (0.66) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL6089719 0.84 KDM4E (0.81) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL7097103 0.83 KDM4E (0.65) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL7877462 0.83 KDM4E (0.65) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL18900668 0.83 KDM4E (0.75) KDM4EALDH1A1CYP1A2CYP2C9HPGD
Hydrochloric Acid SCHEMBL7873343 0.82 KDM4E (0.64) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL4460774 0.82 KDM4E (0.64) KDM4EALDH1A1CYP1A2CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-7109219-B2 Nitrogen-containing aromatic derivatives EISAI CO., LTD. (JP) 2006-09-19 US disclosed
US-20060004029-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-01-05 US disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 US disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 EP 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 (3 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-20060004029-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 KDM4E 2341/4885ALDH1A1 1501/4885CYP1A2 81/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 KDM4E 2341/4885ALDH1A1 1501/4885CYP1A2 81/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 KDM4E 2341/4885ALDH1A1 1501/4885CYP1A2 81/4885

“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.