SCHEMBL21929949

SCHEMBL21929949

O=C(On1cnc(-c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 4/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.43
FTO Q9C0B1 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL14946949 0.73 MAPT (0.53) RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL5209449 0.73 FAAH (0.43) POLBRAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL29123709 0.72 FAAH (0.42) RAB9AALDH1A1
SCHEMBL14946928 0.71 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL17673651 0.71 RAB9A (0.53) MAPK1POLBRAB9ASMN1; SMN2MAPT
SCHEMBL254774 0.69 CES1 (0.70) MAPK1POLBRAB9AMAPTCES2
SCHEMBL27499697 0.69 CES1 (0.70) MAPK1POLBRAB9ACES2CES1
4-Nitrobenzoic Acid SCHEMBL17460232 0.68 TDP1 (0.55) MAPK1POLBMAPTCES2CES1
SCHEMBL16335594 0.68 PKM (0.68) MAPK1POLBRAB9ASMN1; SMN2MAPT
SCHEMBL28489642 0.68 MEN1 (0.60) MAPK1POLBRAB9ASMN1; SMN2MAPT

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-20200148696-A1 Urea/Carbamates FAAH MAGL Or Dual FAAH/MAGL Inhibitors And Uses Thereof NORTHEASTERN UNIVERSITY 2020-05-14 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-20200148696-A1 Urea/Carbamates FAAH MAGL Or Dual FAAH/MAGL Inhibitors And Uses Thereof FAAH, MGLL, FAAH2 MAPK1 3385/4885POLB 2889/4885RAB9A 1087/4885

“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.