SCHEMBL1680507

SCHEMBL1680507

Nc1nc2c(cc1C(=O)O)CCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
MAPT P10636 5/20 0.44
SLC9A1 P19634 1/20 0.44
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
EEF2K O00418 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
PRNP P04156 1/20 0.39
SORT1 Q99523 2/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL30681913 0.84 KDM4E (0.42) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20619534 0.84 KDM4E (0.42) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2902158 0.81 KDM4E (0.46) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30488939 0.81 KDM4E (0.46) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL682462 0.79 POLB (0.51) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2894580 0.79 SLC9A1 (0.48) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL29377191 0.79 POLB (0.51) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1680790 0.77 KDM4E (0.95) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10471696 0.77 KDM4E (0.46) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL25281642 0.76 POLB (0.51) KDM4ENPC1RAB9ASMN1; SMN2MAPT

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 3112/4885NPC1 170/4885RAB9A 1844/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD KDM4E 3022/4885NPC1 459/4885RAB9A 391/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 KDM4E 3245/4885NPC1 154/4885RAB9A 1739/4885

“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.