SCHEMBL677959

SCHEMBL677959

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
ACHE P22303 1/20 0.56
ALDH1A1 P00352 6/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA5A P35218 3/20 0.50
CA9 Q16790 3/20 0.50
HSD11B1 P28845 1/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CES1 P23141 1/20 0.46
CA12 O43570 2/20 0.45
CA3 P07451 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45

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
SCHEMBL28551166 0.88 HSD17B10 (0.54) HSD17B10ACHEALDH1A1CA1CA2
SCHEMBL6671840 0.86 HSD17B10 (0.56) HSD17B10ACHEALDH1A1CA1CA2
SCHEMBL397351 0.86 HSD17B10 (0.56) HSD17B10ACHEALDH1A1CA1CA2
SCHEMBL1538287 0.86 HSD17B10 (0.56) HSD17B10ACHEALDH1A1CA1CA2
SCHEMBL27579582 0.85 HSD11B1 (0.54) HSD17B10ACHEALDH1A1CA1CA2
SCHEMBL5180046 0.83 ALDH1A1 (0.52) HSD17B10ACHEALDH1A1CA1CA2
SCHEMBL28809138 0.83 HSD17B10 (0.48) HSD17B10ACHEALDH1A1CA1CA2
SCHEMBL11453501 0.82 HSD17B10 (0.52) HSD17B10ACHEALDH1A1CA1CA2
SCHEMBL1023276 0.82 HSD11B1 (0.60) HSD17B10ACHEALDH1A1CA1CA2
SCHEMBL2145337 0.82 HSD17B10 (0.52) HSD17B10ACHEALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111943906-B Amidine derivatives, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2023-12-15 CN disclosed
CN-111943906-A Amidine derivative, preparation method thereof, pharmaceutical composition and application 中国医学科学院药物研究所 2020-11-17 CN disclosed
EP-1619211-B1 PROCESS FOR PRODUCTION OF LIVING-RADICAL POLYMERS AND POLYMERS OTSUKA CHEMICAL CO LTD (JP) 2012-10-17 EP disclosed
US-20110275774-A1 ORGANOANTIMONY COMPOUND, PROCESS FOR PREPARING SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER WITH USE OF SAME, AND THE POLYMER YAMAGO SHIGERU 2011-11-10 US disclosed
EP-1595894-B1 PROCESS FOR THE PRODUCTION OF LIVING RADICAL POLYMERS OTSUKA CHEMICAL CO LTD (JP) 2011-10-12 EP disclosed
US-8008414-B2 Organic antimony compound, process for producing the same, living radical polymerization initiator, process for producing polymer using the same, and polymer OTSUKA CHEMICAL CO., LTD. (JP) 2011-08-30 US disclosed
EP-1767539-B1 ORGANIC ANTIMONY COMPOUND, PROCESS FOR PRODUCING THE SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER USING THE SAME, AND POLYMER OTSUKA CHEMICAL CO LTD (JP) 2011-07-27 EP disclosed
CN-1820030-B Process for the production of living radical polymers and polymers OTSUKA CHEMICAL CO LTD 2010-10-06 CN disclosed
US-7662899-B2 Organic tellurium compound, process for producing the same, living radical polymerization initiator, process for producing polymer with the same, and polymer OTSUKA CHEMICAL CO., LTD. (JP) 2010-02-16 US disclosed
US-20090318546-A1 Chromen-2-One Derivatives NOVARTIS AG (CH) 2009-12-24 US disclosed
EP-1595894-A1 PROCESS FOR THE PRODUCTION OF LIVING RADICAL POLYMERS AND POLYMERS OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2005-11-16 EP disclosed
US-20050245714-A1 Organic tellurium compound, process for producing the same, living radical polymerization initiator, process for producing polymer with the same, and polymer OTSUKA CHEMICAL CO., LTD. (JP) 2005-11-03 US disclosed
CN-1675253-A Method for producing living radical polymer and polymer OTSUKA CHEMICAL CO LTD (JP) 2005-09-28 CN disclosed
CN-1649838-A Organic tellurium compound, method for producing same, living radical polymerization initiator, method for producing polymer using same, and polymer OTSUKA KAGAKU KK (JP) 2005-08-03 CN disclosed
EP-1541550-A1 ORGANIC TELLURIUM COMPOUND, PROCESS FOR PRODUCING THE SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER WITH THE SAME, AND POLYMER Otsuka Chemical Co., Ltd. (JP) 2005-06-15 EP disclosed
EP-1541592-A1 PROCESS FOR PRODUCTION OF LIVING RADICAL POLYMERS AND POLYMERS OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2005-06-15 EP disclosed
WO-2004085421-A2 BIOREDUCTIVELY-ACTIVATED PRODRUGS ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2004-10-07 WO disclosed
EP-0121192-B1 ANALYTICAL TEST COMPOSITION, DEVICE, METHOD FOR ITS PREPARATION AND METHOD FOR THE DETERMINATION OF PEROXIDATIVELY ACTIVE SUBSTANCE MILES INC. (US) 1990-06-27 EP disclosed
EP-0121192-A2 Analytical test composition, device, method for its preparation and method for the determination of peroxidatively active substance MILES INC. (US) 1984-10-10 EP disclosed
US-4447542-A USING SUBSTITUTED CUMENE HYDROPEROXIDE AND INDICATOR; COLORIMETRIC ANALYSIS MILES LABORATORIES, INC. (US) 1984-05-08 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 (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-20050245714-A1 Organic tellurium compound, process for producing the same, living radical polymerization initiator, process for producing polymer with the same, and polymer ODC1, TERB1, TTI1 HSD17B10 801/4885ACHE 371/4885ALDH1A1 1201/4885
US-20090318546-A1 Chromen-2-One Derivatives CYP1A2, CYP4B1, CYP1B1 HSD17B10 351/4885ACHE 2700/4885ALDH1A1 330/4885

“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.