SCHEMBL1122546

SCHEMBL1122546

O=C(O)Cc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.69
ALDH1A1 P00352 5/20 0.54
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPT P10636 5/20 0.54
TP53 P04637 2/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.50
GAA P10253 1/20 0.50
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
NPC1 O15118 1/20 0.46
TRPA1 O75762 1/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL5864351 0.87 ALDH1A1 (0.55) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL2385986 0.87 CYP1A2 (0.64) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL29594919 0.87 CYP1A2 (0.64) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL8483121 0.85 ALDH1A1 (0.56) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL6589180 0.85 HTT (0.63) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL5916635 0.85 KMT2A (0.57) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL6292292 0.84 CYP1A2 (0.75) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL2616897 0.84 CYP1A2 (0.53) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL11648063 0.83 ALDH1A1 (0.58) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL9680553 0.83 ALDH1A1 (0.54) CYP1A2ALDH1A1TDP1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210598-A4 4-UNSUBSTITUTED DIHYDROISOQUINOLINONE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-10-30 EP claimed
EP-1210598-A1 4-UNSUBSTITUTED DIHYDROISOQUINOLINONE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2002-06-05 EP claimed
WO-2001014879-A1 4-UNSUBSTITUTED DIHYDROISOQUINOLINONE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-03-01 WO claimed
US-4405705-A HYDROPHILIC TOYO BOSEKI KABUSHIKI KAISHA T/A TOYOBA CO., LTD. (JP) 1983-09-20 US claimed
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
EP-4320121-A2 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS ULK1/2 INHIBITORS AND THEIR USE THEREOF LifeArc (GB) 2024-02-14 EP disclosed
CN-117545751-A 2, 4-diaminopyrimidine derivatives as ULK1/2 inhibitors and their use 生命爱科 2024-02-09 CN disclosed
WO-2022214869-A2 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2022-10-13 WO disclosed
US-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-08-10 US disclosed
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-06-25 US disclosed
WO-2018208132-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-11-15 WO disclosed
EP-2740734-B1 HCV PROTEASE INHIBITORS SHANGHAI TANGRUN PHARMACEUTICALS CO LTD (CN) 2017-09-06 EP disclosed
US-4746657-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1988-05-24 US disclosed
US-4596822-A Chromene or thiochromene ring containing enzyme inhibitor GEORGIA TECH RESEARCH CORPORATION (US) 1986-06-24 US disclosed
EP-0025598-B1 THE USE OF 2-PHENYLTETRALIN DERIVATIVES, OR HETEROCYCLIC ANALOGUES, IN MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1984-08-01 EP disclosed
US-4405705-A HYDROPHILIC TOYO BOSEKI KABUSHIKI KAISHA T/A TOYOBA CO., LTD. (JP) 1983-09-20 US disclosed
US-4273773-A IN COMBINATION WITH A DIURETIC AMERICAN HOME PRODUCTS CORPORATION (US) 1981-06-16 US disclosed
EP-0025598-A1 The use of 2-phenyltetralin derivatives, or heterocyclic analogues, in medicine and pharmaceutical compositions containing them THE WELLCOME FOUNDATION LIMITED (GB) 1981-03-25 EP disclosed
US-3976780-A Methods of protection against emesis in mammals by administration of a 3-alkoxy-thianaphthene-2-carboxamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES L'ILE-DE-FRANCE (FR) 1976-08-24 US disclosed
US-3954748-A ANTIEMETICS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1976-05-04 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 (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-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient BTK, SYK, LCK CYP1A2 2265/4885ALDH1A1 3762/4885TDP1 54/4885
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 CYP1A2 3776/4885ALDH1A1 3376/4885TDP1 1014/4885
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT BTK, SYK, LCK CYP1A2 2265/4885ALDH1A1 3762/4885TDP1 54/4885

“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.