4-Nitroaniline

4-Nitroaniline

SCHEMBL5114292

CC(C)(C)C.N.Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.78
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
MAPT P10636 1/20 0.62
ESR1 P03372 2/20 0.58
CYP19A1 P11511 2/20 0.58
ESR2 Q92731 2/20 0.58
HSD17B10 Q99714 2/20 0.52
ACHE P22303 1/20 0.52
PKM P14618 1/20 0.50
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 2/20 0.47

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
4-Nitroaniline SCHEMBL28786723 0.91 ALDH1A1 (0.95) ALDH1A1KMT2AMEN1MAPTESR1
4-Nitroaniline SCHEMBL4208296 0.89 ALDH1A1 (0.90) ALDH1A1KMT2AMEN1MAPTESR1
4-Nitroaniline SCHEMBL16451 0.89 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1MAPTESR1
4-Nitroaniline SCHEMBL27963818 0.89 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1MAPTESR1
4-Nitroaniline SCHEMBL13529022 0.89 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL9065915 0.89 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1MAPTESR1
4-Nitroaniline SCHEMBL28869855 0.86 ALDH1A1 (0.86) ALDH1A1KMT2AMEN1MAPTESR1
4-Nitroaniline SCHEMBL7158084 0.86 ALDH1A1 (0.95) ALDH1A1KMT2AMEN1MAPTESR1
4-Nitroaniline SCHEMBL21825602 0.86 ALDH1A1 (0.95) ALDH1A1KMT2AMEN1MAPTESR1
4-Nitroaniline SCHEMBL11498181 0.86 ALDH1A1 (0.95) ALDH1A1KMT2AMEN1MAPTESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 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-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R ALDH1A1 4267/4885KMT2A 571/4885MEN1 1225/4885

“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.