4-Nitrobenzoic Acid

4-Nitrobenzoic Acid

SCHEMBL17460232

O=C(O)c1ccc([N+](=O)[O-])cc1.c1ccc(-c2c[nH]cn2)cc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
SRD5A2 P31213 2/20 0.51
POLB P06746 2/20 0.51
MAPK1 P28482 1/20 0.51
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
LDHA P00338 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CSNK2A1 P68400 1/20 0.42

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
SCHEMBL1876057 0.83 RAB9A (0.47) TDP1POLBMEN1KMT2AALDH1A1
SCHEMBL1502364 0.81 KDM4E (0.46) SRD5A2POLBLDHAALDH1A1GAA
Hydrochloric Acid SCHEMBL1502313 0.80 KDM4E (0.45) POLBKMT2ALDHAALDH1A1GAA
4-Nitrobenzoic Acid SCHEMBL11648887 0.80 TDP1 (0.81) TDP1SRD5A2POLBMAPK1CES2
4-Nitrobenzoic Acid SCHEMBL3850860 0.76 TDP1 (0.88) TDP1SRD5A2POLBMAPK1CES2
SCHEMBL5269547 0.75 IDO1 (0.56) TDP1ALDH1A1MAPTCSNK2A1
Terephthalic Acid SCHEMBL27685585 0.74 TDP1 (0.83) TDP1SRD5A2POLBMAPK1CES2
Benzoic Acid SCHEMBL27557362 0.74 TDP1 (0.83) TDP1SRD5A2POLBMAPK1CES2
4-Nitrobenzoic Acid SCHEMBL43476 0.74 TDP1 (1.00) TDP1SRD5A2POLBMAPK1CES2
Terephthalic Acid SCHEMBL28023943 0.74 TDP1 (1.00) TDP1SRD5A2POLBMAPK1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11214578-B2 Urea/carbamates FAAH MAGL or dual FAAH/MAGL inhibitors and uses thereof NORTHEASTERN UNIVERSITY (US) 2022-01-04 US disclosed
US-20200148696-A1 Urea/Carbamates FAAH MAGL Or Dual FAAH/MAGL Inhibitors And Uses Thereof NORTHEASTERN UNIVERSITY 2020-05-14 US disclosed
US-10570146-B2 Urea/carbamates FAAH MAGL or dual FAAH/MAGL inhibitors and uses thereof NORTHEASTERN UNIVERSITY (US) 2020-02-25 US disclosed
US-20170247387-A1 UREA/CARBAMATES FAAH MAGL OR DUAL FAAH/MAGL INHIBITORS AND USES THEREOF NORTHEASTERN UNIVERSITY 2017-08-31 US disclosed
WO-2016014975-A2 UREA/CARBAMATES FAAH MAGL OR DUAL FAAH/MAGL INHIBITORS AND USES THEREOF NORTHEASTERN UNIVERSITY (US) 2016-01-28 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 (4 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-11214578-B2 Urea/carbamates FAAH MAGL or dual FAAH/MAGL inhibitors and uses thereof FAAH, FAAH2, MGLL TDP1 3823/4885SRD5A2 3698/4885POLB 2165/4885
US-10570146-B2 Urea/carbamates FAAH MAGL or dual FAAH/MAGL inhibitors and uses thereof FAAH, FAAH2, MGLL TDP1 3898/4885SRD5A2 4005/4885POLB 3163/4885
US-20170247387-A1 UREA/CARBAMATES FAAH MAGL OR DUAL FAAH/MAGL INHIBITORS AND USES THEREOF FAAH, FAAH2, MGLL TDP1 3625/4885SRD5A2 4199/4885POLB 2815/4885
US-20200148696-A1 Urea/Carbamates FAAH MAGL Or Dual FAAH/MAGL Inhibitors And Uses Thereof FAAH, MGLL, FAAH2 TDP1 3122/4885SRD5A2 4247/4885POLB 2889/4885

“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.