SCHEMBL5466293

SCHEMBL5466293

NC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.79
LMNA P02545 3/20 0.71
GAA P10253 1/20 0.71
HPGD P15428 1/20 0.59
ALOX12 P18054 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPK1 P28482 3/20 0.57
MAPT P10636 2/20 0.57
MITF O75030 2/20 0.57
POLB P06746 2/20 0.57
CES1 P23141 1/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 2/20 0.53
PRMT1 Q99873 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
Terephthalamide SCHEMBL27950892 0.89 TSHR (1.00) TSHRLMNAGAAL3MBTL1MAPK1
SCHEMBL260727 0.89 TSHR (1.00) TSHRLMNAGAAL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL11203029 0.87 TSHR (0.96) TSHRLMNAGAAL3MBTL1MAPK1
Methyl Alcohol SCHEMBL27858599 0.85 TSHR (0.92) TSHRLMNAGAAL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL27509957 0.85 TSHR (0.92) TSHRLMNAGAAL3MBTL1MAPK1
SCHEMBL27728263 0.84 TSHR (0.62) TSHRLMNAGAAHPGDALOX12
SCHEMBL5465076 0.84 TDP1 (0.78) LMNAGAAHPGDALOX12L3MBTL1
SCHEMBL5696165 0.83 TSHR (0.88) TSHRLMNAGAAMAPK1POLB
SCHEMBL4957626 0.82 HPGD (0.83) LMNAGAAHPGDALOX12L3MBTL1
SCHEMBL395942 0.82 HPGD (0.83) LMNAGAAHPGDALOX12L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US claimed
EP-1687253-A2 DIPHENYLAMINE DERIVATIVES Merk Patent Gmbh (DE) 2006-08-09 EP claimed
WO-2005051888-A2 DIPHENYLAMINE DERIVATIVES MERK PATENT GMBH (DE) 2005-06-09 WO claimed
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US disclosed
US-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 US disclosed
US-20070072915-A1 Novel phenoxyacetamide derivative and use thereof for preparation of diphenylamines MERCK PATENT GMBH (DE) 2007-03-29 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 (3 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-20070072915-A1 Novel phenoxyacetamide derivative and use thereof for preparation of diphenylamines PNMT, AADAC, INMT TSHR 4688/4885LMNA 1372/4885GAA 3761/4885
US-20070123586-A1 Nitroso derivatives of diphenylamine NOS3, CBR3, CBR1 TSHR 1707/4885LMNA 1559/4885GAA 4822/4885
US-20070129433-A1 Diphenylamine derivatives CCNY, CHKB, CHKA TSHR 2049/4885LMNA 2448/4885GAA 3787/4885

“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.