SCHEMBL2950263

SCHEMBL2950263

Cc1cc(CCCN2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SIGMAR1 Q99720 3/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PKM P14618 1/20 0.49
KCNJ1 P48048 1/20 0.48
LMNA P02545 1/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL14941460 0.84 ALDH1A1 (0.59) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL31129967 0.82 POLB (0.56) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL12856164 0.82 ALDH1A1 (0.55) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL214477 0.81 KDM4E (0.80) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14419250 0.80 MAPT (0.60) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4145422 0.77 POLB (0.56) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL22995880 0.77 ALDH1A1 (0.55) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2953028 0.77 KDM4E (0.89) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2953122 0.77 CYP1A2 (0.49) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL12862179 0.75 SIGMAR1 (0.54) KDM4EALDH1A1SMN1; SMN2POLBKMT2A

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 2 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
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 3146/4885ALDH1A1 238/4885RAB9A 1154/4885

“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.