SCHEMBL272834

SCHEMBL272834

O=Cc1c([N+](=O)[O-])ccc(Cl)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.62
VCAM1 P19320 9/20 0.53
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
KDM4A O75164 1/20 0.39
KDM4B O94953 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.38
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL1115822 0.85 TDP1 (0.62) TDP1VCAM1TSHRMAPK1ALDH1A1
SCHEMBL5583401 0.83 VCAM1 (0.51) TDP1VCAM1TSHRMAPK1ALDH1A1
SCHEMBL14159967 0.81 TDP1 (0.44) TDP1VCAM1TSHRMAPK1ALDH1A1
SCHEMBL29137985 0.81 TDP1 (0.44) TDP1VCAM1TSHRMAPK1ALDH1A1
SCHEMBL31503808 0.78 ALDH1A1 (0.49) TDP1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL9693348 0.78 ALDH1A1 (0.45) TDP1VCAM1TSHRMAPK1ALDH1A1
SCHEMBL278488 0.77 TDP1 (1.00) TDP1VCAM1TSHRMAPK1ALDH1A1
SCHEMBL103575 0.77 TDP1 (0.59) TDP1VCAM1TSHRMAPK1ALDH1A1
SCHEMBL9694013 0.75 ALDH1A1 (0.67) MAPK1ALDH1A1MEN1KMT2A
SCHEMBL11811233 0.74 TDP1 (0.71) TDP1VCAM1TSHRMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107903217-B Preparation method of anagrelide impurity B 湖北省宏源药业科技股份有限公司 2021-11-23 CN claimed
CN-107903217-A A kind of preparation method of anagrelide impurity B 湖北省宏源药业科技股份有限公司 2018-04-13 CN claimed
CN-103333078-A Synthesis method for key intermediate, analogue or salt of ticlopidine SUZHOU HUIHE PHARMACEUTICAL CO LTD 2013-10-02 CN claimed
WO-2024026536-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2024-02-08 WO disclosed
CN-107903217-B Preparation method of anagrelide impurity B 湖北省宏源药业科技股份有限公司 2021-11-23 CN disclosed
EP-2630148-B1 PROCESS FOR THE PREPARATION OF ANAGRELIDE AND ANALOGUES THEREOF SHIRE LLC (US) 2020-11-25 EP disclosed
EP-2630148-B1 PROCESS FOR THE PREPARATION OF ANAGRELIDE AND ANALOGUES THEREOF SHIRE LLC (US) 2020-11-25 EP disclosed
EP-1836202-B1 AMINOPHENYL DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS ACADIA PHARM INC (US) 2016-12-21 EP disclosed
CN-102272105-B enantiomerically enriched aryloazol-2-yl cyanoethylamino parasiticidal compounds 梅瑞尔公司 2016-09-14 CN disclosed
CN-103180323-B For the method preparing anagrelide and the like 夏尔有限责任公司 2016-08-10 CN disclosed
CN-103483263-B Arylpyrrol-2-yl cyanoethylamino compounds, process for their preparation and their use MERIAL LTD. (US) 2016-04-13 CN disclosed
US-6653500-B2 Making ethyl N-(2,3-dichloro-6-nitrobenzyl)glycine from 2,3-dichlorobenzaldehyde, reducing the glycine compound using tin dichloride or a catalyst and cyclization of the corresponding iminoquinazoline compound SHIRE US INC. 2003-11-25 US disclosed
US-20030114673-A1 2-AMINO-5,6-DIHALO-3,4-DIHYDROQUINAZOLINES WITH BLOOD PLATELET REDUCING PROPERTIES SHIRE US INC. 2003-06-19 US disclosed
US-20030060630-A1 Method for the manufacture of Anagrelide SHIRE US INC. 2003-03-27 US disclosed
US-6388073-B1 NITRATION A 3,4-DICHLOROBENZALDEHYDE; REDUCING; CHLORINATION; ALKYLATION; BROMOCYANATION; CHLIZATION SHIRE US INC. 2002-05-14 US disclosed
WO-2002008228-A2 METHOD FOR THE MANUFACTURE OF ANAGRELIDE SHIRE US INC (US) 2002-01-31 WO disclosed
WO-2001040196-A1 2-AMINO-5,6-DIHALO-3,4-DIHYDROQUINAZOLINES WITH BLOOD PLATELET REDUCING PROPERTIES ROBERTS LABORATORIES INC. (US) 2001-06-07 WO disclosed
US-6194420-B1 BLOOD DISORDERS; REDUCE PLATELET CONCENTRATION ROBERTS LABORATORIES INC. 2001-02-27 US disclosed
EP-0736032-A1 HETEROCYCLIC COMPOUNDS Astra Aktiebolag (SE) 1996-10-09 EP disclosed
WO-1995017410-A1 HETEROCYCLIC COMPOUNDS ASTRA AKTIEBOLAG (SE) 1995-06-29 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-20030114673-A1 2-AMINO-5,6-DIHALO-3,4-DIHYDROQUINAZOLINES WITH BLOOD PLATELET REDUCING PROPERTIES THPO, F2, PF4 TDP1 520/4885VCAM1 2606/4885TSHR 3625/4885
US-20030060630-A1 Method for the manufacture of Anagrelide SUCLG2, PDCD2L, ICOSLG TDP1 2354/4885VCAM1 2537/4885TSHR 4065/4885

“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.