SCHEMBL4958805

SCHEMBL4958805

CC(N1CCOCC1)n1ccnc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 3/20 0.38
ALDH1A1 P00352 6/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 4/20 0.36
CYP2C19 P33261 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 3/20 0.35
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
AVPR1A P37288 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL11369826 0.86 KMT2A (0.36) CYP1A2CYP2C9ALDH1A1MAPTCYP2C19
SCHEMBL2360743 0.75 KMT2A (0.43) CYP1A2ALDH1A1CYP2C19KMT2ALMNA
SCHEMBL8983978 0.75 ALDH1A1 (0.35) ALDH1A1HPGDKMT2AMEN1
SCHEMBL28818918 0.72 KMT2A (0.48) CYP1A2ALDH1A1MAPTCYP2C19KMT2A
SCHEMBL11405407 0.72 ALDH1A1 (0.38) CYP1A2CYP2C9ALDH1A1GAAMAPT
SCHEMBL7060299 0.71 KMT2A (0.40) CYP1A2CYP2C9ALDH1A1MAPTCYP2C19
SCHEMBL11404297 0.69 POLB (0.42) CYP1A2CYP2C9ALDH1A1GAAMAPT
SCHEMBL3835020 0.69 LMNA (0.43) ALDH1A1MAPTCYP2C19KMT2ALMNA
SCHEMBL27470889 0.69 KMT2A (0.39) CYP1A2MAPTCYP2C19KMT2ALMNA
SCHEMBL366282 0.69 CA12 (0.50) CYP1A2CYP2C9ALDH1A1MAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206937-B1 NITROIMIDAZOLE EXTERNAL PREPARATIONS FOR THE TREATMENT OF ATOPIC DERMATITIS SHOEI CO LTD (JP) 2008-01-23 EP disclosed
US-20030092754-A1 External preparation for skin diseases containing nitroimidazole SHOEI CO., LTD. (JP) 2003-05-15 US disclosed
EP-1206937-A1 NITROIMIDAZOLE EXTERNAL PREPARATIONS FOR DERMATOSIS SHOEI CO., LTD. (JP) 2002-05-22 EP 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-20030092754-A1 External preparation for skin diseases containing nitroimidazole IL4I1, NSD1, CUTA CYP1A2 454/4885CYP2C9 1125/4885ALDH1A1 776/4885

“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.