SCHEMBL2953028

SCHEMBL2953028

Cc1cc(OCCN2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.89

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.89
NPC1 O15118 5/20 0.89
ALDH1A1 P00352 5/20 0.89
RAB9A P51151 4/20 0.89
SMN1; SMN2 Q16637 3/20 0.89
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
HTT P42858 1/20 0.70
MAPK1 P28482 1/20 0.57
MAPT P10636 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL214477 0.94 KDM4E (0.80) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1605174 0.90 KDM4E (0.74) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1663955 0.89 KDM4E (0.71) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10176157 0.88 KDM4E (0.74) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29788583 0.86 KDM4E (0.68) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL375580 0.86 KDM4E (0.68) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL214706 0.85 KDM4E (0.68) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL30402766 0.85 KDM4E (0.67) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL572541 0.85 KDM4E (0.67) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14662784 0.84 KDM4E (0.66) KDM4ENPC1ALDH1A1RAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 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 (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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 KDM4E 3146/4885NPC1 118/4885ALDH1A1 238/4885

“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.