SCHEMBL4168380

SCHEMBL4168380

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.59
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 2/20 0.56
ACHE P22303 1/20 0.56
PLAU P00749 1/20 0.55
NOS3 P29474 4/20 0.52
NOS2 P35228 2/20 0.51
RECQL P46063 1/20 0.50
MAPK1 P28482 3/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
KEAP1 Q14145 1/20 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
SCHEMBL3173958 0.80 PLAU (0.59) NOS1ALDH1A1HSD17B10ACHEPLAU
SCHEMBL3282776 0.80 MEN1 (0.61) NOS1ALDH1A1HSD17B10ACHEPLAU
SCHEMBL3282773 0.80 MEN1 (0.61) NOS1ALDH1A1HSD17B10ACHEPLAU
SCHEMBL22567 0.79 ALDH1A1 (0.72) ALDH1A1HSD17B10ACHERECQLMAPK1
SCHEMBL27909482 0.79 ALDH1A1 (0.72) ALDH1A1HSD17B10ACHERECQLMAPK1
SCHEMBL4365351 0.78 PLAU (0.57) NOS1ALDH1A1HSD17B10ACHEPLAU
SCHEMBL18245160 0.77 NOS1 (0.50) NOS1ALDH1A1HSD17B10ACHEPLAU
Methyl Alcohol SCHEMBL27456236 0.76 HSD17B10 (0.70) NOS1ALDH1A1HSD17B10ACHERECQL
SCHEMBL12155535 0.76 PLAU (0.55) NOS1ALDH1A1HSD17B10ACHEPLAU
SCHEMBL128519 0.76 PLAU (0.55) NOS1ALDH1A1HSD17B10ACHEPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US claimed
US-20090105261-A1 Novel substituted pyrazolo[1,5<I>A</I>]-1,3,5-Triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2009-04-23 US disclosed
US-7109330-B2 Purine inhibitors of cyclin dependent kinase 2 and IκB-α CV THERAPEUTICS, INC. (US) 2006-09-19 US disclosed
US-20060106019-A1 Novel substituted pyrazolo[1,5 a]-1,3,5-triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2006-05-18 US disclosed
EP-1150982-B1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha CV THERAPEUTICS INC (US) 2005-10-12 EP disclosed
EP-1525205-A2 NOVEL SUBSTITUTED PYRAZOLO( 1,5-A /I ]-1,3,5-TRIAZINE DERIVATIVES AND THEIR ANALOGUES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, USE THEREOF AS MEDICINE AND METHODS FOR PREPARING SAME Greenpharma (FR) 2005-04-27 EP disclosed
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US disclosed
US-6790958-B2 ANTIPROLIFERATIVE AGENTS; FUNGICIDES LUM ROBERT T (US) 2004-09-14 US disclosed
WO-2004011464-A2 NOVEL SUBSTITUTED PYRAZOLO[1,5 A]-1,3,5-TRIAZINE DERIVATIVES AND THEIR ANALOGUES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, USE THEREOF AS MEDICINE AND METHODS FOR PREPARING SAME GREENPHARMA (FR) 2004-02-05 WO disclosed
EP-0010001-B1 PHOTOGRAPHIC RECORDING MATERIAL CONTAINING SHIFTED DYE RELEASING COMPOUND EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1983-08-17 EP disclosed
US-4234672-A GOOD STORAGE STABILITY, BUT UNBLOCK RAPIDLY UNDER PROCESSING CONDITIONS EASTMAN KODAK COMPANY (US) 1980-11-18 US disclosed
EP-0010001-A2 Photographic recording material containing shifted dye releasing compound EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1980-04-16 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 (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-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 NOS1 3826/4885ALDH1A1 3492/4885HSD17B10 2917/4885
US-20060106019-A1 Novel substituted pyrazolo[1,5 a]-1,3,5-triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same PMP22, BDNF, GRIK5 NOS1 1163/4885ALDH1A1 312/4885HSD17B10 1798/4885
US-20090105261-A1 Novel substituted pyrazolo[1,5<I>A</I>]-1,3,5-Triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same BDNF, NTRK2, NGF NOS1 256/4885ALDH1A1 424/4885HSD17B10 3999/4885

“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.