SCHEMBL1680466

SCHEMBL1680466

COC(=O)c1ccc(CCO)nc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 6/20 0.41
GAA P10253 4/20 0.41
HSD17B10 Q99714 3/20 0.41
GLA P06280 3/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
CFTR P13569 2/20 0.41
ABL1 P00519 1/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
CYP4A11 Q02928 4/20 0.39
CYP4F2 P78329 3/20 0.39
LMNA P02545 1/20 0.39
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37

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
SCHEMBL14957207 0.87 KDM4E (0.44) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL1681059 0.86 ALDH1A1 (0.41) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL23673885 0.84 ALDH1A1 (0.44) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL22666695 0.84 ALDH1A1 (0.44) KDM4EALDH1A1GAAHSD17B10GLA
Acetic Acid SCHEMBL30135700 0.83 ALDH1A1 (0.41) KDM4EALDH1A1GAAHSD17B10GLA
Acetic Acid SCHEMBL29781381 0.83 ALDH1A1 (0.41) KDM4EALDH1A1GAAHSD17B10GLA
Acetic Acid SCHEMBL30135701 0.83 ALDH1A1 (0.41) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL12908109 0.83 NPC1 (0.42) KDM4EALDH1A1GLAMAPTABL1
SCHEMBL509290 0.83 ALDH1A1 (0.42) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL1680355 0.82 ALDH1A1 (0.44) KDM4EALDH1A1GAAHSD17B10GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 KDM4E 3112/4885ALDH1A1 1677/4885GAA 400/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD KDM4E 3022/4885ALDH1A1 1926/4885GAA 2314/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 KDM4E 3245/4885ALDH1A1 1459/4885GAA 438/4885

“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.