SCHEMBL6671674

SCHEMBL6671674

Cc1cc([N+](=O)[O-])c(N)c(C)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
ALDH1A1 P00352 6/20 0.47
TSHR P16473 6/20 0.47
CYP3A4 P08684 4/20 0.47
RECQL P46063 1/20 0.47
CTSB P07858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 4/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5203798 0.85 CYP1A2 (0.56) CYP1A2ALDH1A1TSHRCYP3A4RECQL
SCHEMBL27445177 0.85 TSHR (0.47) CYP1A2ALDH1A1TSHRCYP3A4RECQL
SCHEMBL19230478 0.84 CYP1A2 (0.60) CYP1A2ALDH1A1TSHRCYP3A4RECQL
SCHEMBL3606399 0.84 ALDH1A1 (0.43) CYP1A2ALDH1A1TSHRCYP3A4RECQL
SCHEMBL6579395 0.82 ALDH1A1 (0.46) CYP1A2ALDH1A1TSHRCYP3A4RECQL
SCHEMBL1828688 0.82 ALDH1A1 (0.48) CYP1A2ALDH1A1TSHRCYP3A4RECQL
SCHEMBL7527476 0.82 CYP1A2 (0.52) CYP1A2ALDH1A1TSHRCYP3A4RECQL
SCHEMBL2100657 0.81 TSHR (0.55) CYP1A2ALDH1A1TSHRCYP3A4RECQL
SCHEMBL5202894 0.81 CYP1A2 (0.52) CYP1A2ALDH1A1TSHRCYP3A4RECQL
SCHEMBL1828689 0.78 TSHR (0.48) CYP1A2ALDH1A1TSHRCYP3A4RECQL

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
EP-1172356-B1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6630598-B2 Reacting nitroaniline compound with acid chloride/anhydride in presence of alkali metal/earth metal compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-10-07 US disclosed
US-20020016506-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED 2002-02-07 US disclosed
EP-1172356-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-16 EP disclosed
US-4104020-A OXIDIZABLE DEVELOPER-COUPLER HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1978-08-01 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-20020016506-A1 Process for producing N-acylnitroaniline derivative NAAA, NAT1, ACOT7 CYP1A2 240/4885ALDH1A1 824/4885TSHR 2260/4885

“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.