SCHEMBL4933802

SCHEMBL4933802

O=C(O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C1CCC2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 6/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4934264 0.84 MAPT (0.59) SMN1; SMN2MAPTALDH1A1LMNAHTT
SCHEMBL4925541 0.84 CNR2 (0.58) KDM4ETDP1KMT2ASMN1; SMN2MAPT
SCHEMBL1431678 0.83 KEAP1 (0.49) KDM4ESMN1; SMN2MAPTALDH1A1CNR1
SCHEMBL1431911 0.83 PPARA (0.41) KDM4ESMN1; SMN2MAPTALDH1A1CNR1
SCHEMBL1432255 0.83 CYP1A2 (0.43) KDM4EKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4927251 0.83 PPARA (0.41) KDM4ESMN1; SMN2MAPTALDH1A1CNR1
SCHEMBL4934207 0.83 CYP1A2 (0.43) KDM4EKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4929226 0.83 ALDH1A1 (0.48) KDM4ETDP1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4932426 0.83 PPARA (0.41) KDM4ESMN1; SMN2MAPTALDH1A1CNR1
SCHEMBL1431859 0.83 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2LMNACNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2008-08-21 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-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION CNR2, CNR1, OPRL1 KDM4E 2084/4885TDP1 4304/4885KMT2A 2331/4885

“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.