SCHEMBL5408760

SCHEMBL5408760

Nc1ccnn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
XDH P47989 1/20 0.50
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
SRC P12931 1/20 0.44
BRAF P15056 1/20 0.44
KDR P35968 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL543835 0.81 MAPT (0.56) POLBMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL8335743 0.79 MAPT (0.47) POLBXDHMAPTALDH1A1SMN1; SMN2
SCHEMBL4879569 0.76 PTGS1 (0.48) POLBXDHMAPTALDH1A1SMN1; SMN2
SCHEMBL2557804 0.76 MAPT (0.44) POLBXDHMAPTALDH1A1SMN1; SMN2
SCHEMBL10561726 0.75 CA12 (0.58) POLBXDHMAPTALDH1A1SMN1; SMN2
SCHEMBL19240298 0.74 SMN1; SMN2 (0.56) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6250200 0.72 POLB (0.55) POLBALDH1A1SMN1; SMN2NFKB1KDM4E
SCHEMBL11328079 0.72 MAPT (0.72) POLBMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL15560058 0.72 PTGS1 (0.61) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL15558972 0.72 MAPT (0.46) POLBMAPTALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7195649-B2 N-aryl-4,5-diaminopyrazoles and dyes containing said compounds WELLA AG (DE) 2007-03-27 US disclosed
EP-1562540-B1 N-ARYL-4,5-DIAMINOPYRAZOLS AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2006-08-30 EP disclosed
EP-1562540-A1 N-ARYL-4,5-DIAMINOPYRAZOLS AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2005-08-17 EP disclosed
US-20050081312-A1 N-aryl-4,5-diaminopyrazoles and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2005-04-21 US disclosed
WO-2004047781-A1 N-ARYL-4,5-DIAMINOPYRAZOLS AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2004-06-10 WO disclosed
US-4994209-A Optically transparent solid solution of organic compound in polymer FUJI PHOTO FILM CO., LTD. (JP) 1991-02-19 US disclosed
EP-0017768-A1 Reactive dyestuffs and their use BASF Aktiengesellschaft (DE) 1980-10-29 EP 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-20050081312-A1 N-aryl-4,5-diaminopyrazoles and dyes containing said compounds KRT18, F12, HCN3 POLB 1807/4885XDH 746/4885MAPT 1861/4885

“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.