SCHEMBL11055960

SCHEMBL11055960

O=C(Nc1ccccc1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.85
KMT2A Q03164 10/20 0.85
MAPT P10636 5/20 0.70
NPC1 O15118 4/20 0.70
MAPK1 P28482 3/20 0.70
POLB P06746 3/20 0.70
RAB9A P51151 2/20 0.70
NPSR1 Q6W5P4 2/20 0.70
MITF O75030 1/20 0.70
MYOC Q99972 1/20 0.70
LMNA P02545 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
CXCR1 P25024 2/20 0.68
CXCR2 P25025 2/20 0.68
ALOX12 P18054 2/20 0.67
HPGD P15428 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HTT P42858 2/20 0.64
DDX3X O00571 1/20 0.64
CTDSP1 Q9GZU7 1/20 0.64

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
Diphenylurea SCHEMBL27302793 0.98 MEN1 (0.81) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL23069044 0.93 MEN1 (0.73) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL1177730 0.92 MEN1 (1.00) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL6302157 0.92 MEN1 (1.00) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL11832409 0.91 MEN1 (0.88) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL14877369 0.89 CES1 (0.75) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL11027238 0.87 MEN1 (0.88) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL6302417 0.87 MEN1 (0.89) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL7881307 0.86 MEN1 (1.00) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL6297231 0.85 MAPT (0.84) MEN1KMT2AMAPTNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108794408-B Pyrimidine phenylurea anti-tumor compound and preparation method and application thereof 中国医科大学 2020-04-21 CN claimed
CN-117800925-A Phenyl ureido quinazoline compound, preparation method thereof and application thereof in preparation of medicines for preventing or treating liver cancer 浙江工业大学 2024-04-02 CN disclosed
CN-117486809-A 2-chloroquinazoline compound, preparation method and application thereof in preparation of medicines for preventing or treating breast cancer 浙江工业大学 2024-02-02 CN disclosed
CN-114794141-B Compound weeding composition and compound herbicide 浙江新安化工集团股份有限公司 2023-05-23 CN disclosed
CN-108794408-B Pyrimidine phenylurea anti-tumor compound and preparation method and application thereof 中国医科大学 2020-04-21 CN disclosed
EP-3524656-A1 NOVEL HYDROGELATOR National University Corporation Shizuoka University (JP) 2019-08-14 EP disclosed
US-20190241598-A1 NOVEL HYDROGELATOR NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2019-08-08 US disclosed
CN-106699755-B A kind of aza-acridine class compound and preparation method thereof and purposes 清华大学深圳研究生院 2018-09-21 CN disclosed
CN-106699755-A Aza-acridine compound and preparation method and application thereof 清华大学深圳研究生院 2017-05-24 CN disclosed
CN-104650111-A Aryl urea and aryl amide substituted oxaole pyrimindine compounds as well as preparation method and application thereof UNIV CHINA PHARMA 2015-05-27 CN disclosed
CN-102532103-B Quinazolinyl aryl urea derivatives and preparation method and application thereof TIANJIN INST PHARM RESEARCH 2014-07-09 CN disclosed
CN-102532103-A Quinazolinyl aryl urea derivatives and preparation method and application thereof TIANJIN INST PHARM RESEARCH 2012-07-04 CN disclosed
US-4444863-A UREA COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1984-04-24 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 (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-20190241598-A1 NOVEL HYDROGELATOR AGL, GCK, CCNL2 MEN1 3201/4885KMT2A 2810/4885MAPT 4373/4885

“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.