SCHEMBL1680790

SCHEMBL1680790

CCOC(=O)c1cc2c(nc1N)CCC2

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.95
ALDH1A1 P00352 9/20 0.58
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
HPGD P15428 3/20 0.58
GAA P10253 3/20 0.58
KMT2A Q03164 3/20 0.56
PPARG P37231 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
MAPT P10636 2/20 0.55
ACHE P22303 4/20 0.52
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
RXFP1 Q9HBX9 1/20 0.49
ATM Q13315 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48

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
SCHEMBL7913070 0.83 KDM4E (0.75) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14967069 0.83 KDM4E (0.70) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10286560 0.83 KDM4E (0.67) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2899565 0.82 KDM4E (0.73) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7902779 0.82 KDM4E (0.73) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10563413 0.82 KDM4E (0.73) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7903030 0.82 KDM4E (0.73) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2899414 0.81 KDM4E (0.71) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2899648 0.81 KDM4E (0.71) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10271344 0.80 KDM4E (0.70) 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 13 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
WO-1993018035-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 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 (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 1677/4885NPC1 170/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD KDM4E 3022/4885ALDH1A1 1926/4885NPC1 459/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 KDM4E 3245/4885ALDH1A1 1459/4885NPC1 154/4885

“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.