SCHEMBL1531250

SCHEMBL1531250

Cc1ccn[c]c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 5/20 0.38
TSHR P16473 10/20 0.37
HSD17B10 Q99714 2/20 0.36
ACHE P22303 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 4/20 0.33
RECQL P46063 1/20 0.32
MAPT P10636 2/20 0.31
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5316500 0.76 CA12 (0.31)
SCHEMBL17113878 0.76 ALDH1A1 (0.38) ALDH1A1TDP1TSHRHSD17B10SMN1; SMN2
SCHEMBL3200439 0.76 ALDH1A1 (0.34) ALDH1A1TDP1TSHRSMN1; SMN2MEN1
SCHEMBL2067228 0.76 KMT2A (0.46) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL16268103 0.67 KDM4E (0.39) ALDH1A1TDP1HSD17B10SMN1; SMN2MEN1
SCHEMBL457459 0.67 TSHR (0.42) ALDH1A1TDP1TSHRHSD17B10ACHE
SCHEMBL455622 0.65 ALDH1A1 (0.48) ALDH1A1TDP1TSHRHSD17B10ACHE
SCHEMBL2067226 0.64 ALDH1A1 (0.42) ALDH1A1TDP1HSD17B10MEN1KMT2A
SCHEMBL10767704 0.64 TDP1 (0.39) ALDH1A1TDP1TSHRSMN1; SMN2MEN1
SCHEMBL3200434 0.64 TDP1 (0.38) ALDH1A1TDP1TSHRHSD17B10SMN1; SMN2

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292606-A1 Pyrazole derivative, its intermediate, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-03-09 EP disclosed
US-7767827-B2 Pyrazole-1-carboxylate derivatives, process for the production thereof and process for the production of pyrazole derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-20090162293-A1 METHODS AND COMPOSITIONS FOR ULTRASOUND IMAGING OF APOPTOSIS POINT BIOMEDICAL CORPORATION (US) 2009-06-25 US disclosed
EP-1673108-A4 METHODS AND COMPOSITIONS FOR ULTRASOUND IMAGING OF APOPTOSIS POINT BIOMEDICAL CORP (US) 2009-06-03 EP disclosed
US-7538215-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-01-15 US disclosed
US-7413727-B2 Contrast agents GE HEALTHCARE AS (NO) 2008-08-19 US disclosed
EP-1884512-A1 PYRAZOLE-1-CARBOXYLIC ESTER DERIVATIVE, METHOD FOR PRODUCING THE SAME AND METHOD FOR PRODUCING PYRAZOLE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 2008-02-06 EP disclosed
EP-0977600-A2 CONTRAST AGENTS NYCOMED IMAGING A/S (NO) 2000-02-09 EP disclosed
EP-0971747-A2 CONTRAST AGENTS NYCOMED IMAGING AS (NO) 2000-01-19 EP disclosed
EP-0963209-A2 IMPROVEMENTS IN OR RELATING TO DIAGNOSTIC/THERAPEUTIC AGENTS Marsden, John Christopher (GB) 1999-12-15 EP disclosed
EP-0946202-A2 CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1999-10-06 EP disclosed
WO-1998047541-A1 CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1998-10-29 WO disclosed
WO-1998018497-A2 CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1998-05-07 WO disclosed
WO-1998018496-A2 CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1998-05-07 WO disclosed
WO-1998018498-A2 IMPROVEMENTS IN OR RELATING TO DIAGNOSTIC/THERAPEUTIC AGENTS MARSDEN, JOHN, CHRISTOPHER (GB) 1998-05-07 WO disclosed
WO-1998018500-A2 IMPROVEMENTS IN OR RELATING TO DIAGNOSTIC/THERAPEUTIC AGENTS MARSDEN, JOHN, CHRISTOPHER (GB) 1998-05-07 WO disclosed
WO-1998018495-A2 IMPROVEMENTS IN OR RELATING TO DIAGNOSTIC/THERAPEUTIC AGENTS MARSDEN, JOHN, CHRISTOPHER (GB) 1998-05-07 WO 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 (2 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-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT CYP51A1, CYP4F11, WEE1 ALDH1A1 113/4885TDP1 1693/4885TSHR 3081/4885
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES WEE1, CYP51A1, CYP4B1 ALDH1A1 57/4885TDP1 1691/4885TSHR 1959/4885

“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.