SCHEMBL2902495

SCHEMBL2902495

CCOC(=O)Nc1cc(OC)c(OC)c(OC)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
PKM P14618 2/20 0.52
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 2/20 0.42
DPP4 P27487 1/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.41
TNF P01375 1/20 0.41

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
SCHEMBL7975763 0.79 ALDH1A1 (0.56) ALDH1A1PKMHTTSMN1; SMN2CYP1A2
SCHEMBL2070257 0.75 PKM (0.78) ALDH1A1PKMHTTSMN1; SMN2CYP1A2
SCHEMBL10510922 0.75 PKM (0.49) ALDH1A1PKMHTTSMN1; SMN2KMT2A
SCHEMBL7513265 0.73 KDM4E (0.59) ALDH1A1PKMSMN1; SMN2CYP2C9CYP2C19
SCHEMBL1197137 0.73 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL9687963 0.72 PKM (0.47) ALDH1A1PKMHTTSMN1; SMN2KMT2A
SCHEMBL27545740 0.72 PKM (0.52) ALDH1A1PKMHTTSMN1; SMN2KDM4E
SCHEMBL2568595 0.72 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL3473414 0.72 PKM (0.59) ALDH1A1PKMHTTSMN1; SMN2KMT2A
SCHEMBL7585822 0.71 ALDH1A1 (0.53) ALDH1A1PKMHTTSMN1; SMN2CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400510-B1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS KOWA CO (JP) 2010-08-18 EP disclosed
US-7135473-B2 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2006-11-14 US disclosed
US-20040058913-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2004-03-25 US disclosed
EP-1400510-A1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6632810-B2 Such as N,N'-bis((5,6,7-trimethoxynaphthalen-2-yl)methyl) piperazine, which has inhibitory effects on cell adhesion, for treatment of allergy, asthma, rheumatism, arteriosclerosis, and inflammation KOWA CO., LTD. (JP) 2003-10-14 US disclosed
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2003-03-27 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 (2 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-20040058913-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 ALDH1A1 468/4885PKM 4613/4885HTT 3478/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 ALDH1A1 468/4885PKM 4613/4885HTT 3478/4885

“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.