SCHEMBL718100

SCHEMBL718100

Cc1ncn(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
MAPT P10636 7/20 0.50
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
LMNA P02545 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ACHE P22303 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL3758351 0.80 HTT (0.51) HTTMAPTKMT2AMEN1NPC1
SCHEMBL28569244 0.80 HTT (0.51) HTTMAPTKMT2AMEN1NPC1
SCHEMBL27293604 0.80 HTT (0.51) HTTMAPTKMT2AMEN1NPC1
SCHEMBL3751013 0.80 HTT (0.51) HTTMAPTKMT2AMEN1NPC1
SCHEMBL11068477 0.80 HTT (0.51) HTTMAPTKMT2AMEN1NPC1
SCHEMBL3750773 0.80 HTT (0.51) HTTMAPTKMT2AMEN1NPC1
SCHEMBL3745865 0.80 HTT (0.51) HTTMAPTKMT2AMEN1NPC1
SCHEMBL3757135 0.80 HTT (0.51) HTTMAPTKMT2AMEN1NPC1
SCHEMBL16073060 0.79 HTT (0.51) HTTMAPTKMT2AMEN1NPC1
SCHEMBL16089344 0.79 HTT (0.51) HTTMAPTKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3342765-B1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2021-09-15 EP disclosed
CN-107922315-B Cathepsin K inhibitors and uses thereof 广东东阳光药业有限公司 2021-03-26 CN disclosed
CN-106939248-B Water-based carbon deposit cleaning composition for automobile Foshan city cloud Technology Co. Ltd. (CN) 2019-12-10 CN disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
EP-3342765-A1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2018-07-04 EP disclosed
EP-3204009-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2017-08-16 EP disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 WO disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 WO disclosed
US-20090062550-A1 Process for the Large Scale Production of Rizatriptan Benzoate MATRIX LABORATORIES LTD (IN) 2009-03-05 US disclosed
EP-1951713-A1 PROCESS FOR THE LARGE SCALE PRODUCTION OF RIZATRIPTAN BENZOATE Matrix Laboratories Ltd (IN) 2008-08-06 EP disclosed
WO-2007054979-A1 PROCESS FOR THE LARGE SCALE PRODUCTION OF RIZATRIPTAN BENZOATE MATRIX LABORATORIES LTD (IN) 2007-05-18 WO disclosed
CN-1060479-C Preparation method for imidazole derivatives MERCK SHARP & DOHME (GB) 2001-01-10 CN 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 HTT 245/4885MAPT 3263/4885KMT2A 4081/4885
US-20090062550-A1 Process for the Large Scale Production of Rizatriptan Benzoate DPP4, HTR3A, SI HTT 2490/4885MAPT 1237/4885KMT2A 1648/4885
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies BACE1, APP, BACE2 HTT 231/4885MAPT 16/4885KMT2A 4527/4885

“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.