SCHEMBL214477

SCHEMBL214477

Cc1cc(OCCCN2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.80
ALDH1A1 P00352 5/20 0.80
NPC1 O15118 4/20 0.80
RAB9A P51151 3/20 0.80
SMN1; SMN2 Q16637 2/20 0.80
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
MAPK1 P28482 3/20 0.64
HTT P42858 1/20 0.62
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
HRH3 Q9Y5N1 2/20 0.56
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
HTR2A P28223 1/20 0.56
SCN1A P35498 1/20 0.56
HTR2B P41595 1/20 0.56
KCNH2 Q12809 1/20 0.56
SCN2A Q99250 1/20 0.56

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
SCHEMBL2953028 0.94 KDM4E (0.89) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14662784 0.91 KDM4E (0.66) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14419242 0.89 KDM4E (0.78) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14419357 0.88 KDM4E (0.70) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5957832 0.86 ALDH1A1 (0.60) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14419360 0.85 KDM4E (0.63) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1605174 0.84 KDM4E (0.74) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14419694 0.84 ALDH1A1 (0.62) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5240103 0.84 ALDH1A1 (0.58) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5239500 0.83 ALDH1A1 (0.57) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US 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 (1 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 KDM4E 952/4885ALDH1A1 4295/4885NPC1 3307/4885

“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.