Sugi Predict

Sugi Predict / Compounds / SCHEMBL2385986

SCHEMBL2385986

SCHEMBL2385986

O=C(O)Cc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.64
▸ ALDH1A1 P00352 4/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ MAPT P10636 3/20 0.50
▸ TP53 P04637 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 4/20 0.49
▸ APEX1 P27695 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ CTSV O60911 1/20 0.47
▸ CTSL P07711 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ PLA2G1B P04054 1/20 0.45
▸ ATG4B Q9Y4P1 1/20 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
SCHEMBL29594919 1.00 CYP1A2 (0.64) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL3575101 0.87 ALDH1A1 (0.59) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL1122546 0.87 CYP1A2 (0.69) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL28068351 0.86 ALDH1A1 (0.62) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL28428327 0.85 ALDH1A1 (0.60) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL2557500 0.85 ALDH1A1 (0.60) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL27882095 0.85 ALDH1A1 (0.60) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL6292292 0.84 CYP1A2 (0.75) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL28426985 0.83 ALDH1A1 (0.58) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL27165480 0.83 ALDH1A1 (0.58) 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 124 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3562806-A1 METHODS FOR THE PREPARATION OF 6-AMINOISOQUINOLINE Aerie Pharmaceuticals, Inc. (US) 2019-11-06 — — EP claimed
WO-2018125548-A1 METHODS FOR THE PREPARATION OF 6-AMINOISOQUINOLINE AERIE PHARMACEUTICALS, INC. (US) 2018-07-05 — — WO claimed
US-9840468-B1 Methods for the preparation of 6-aminoisoquinoline AERIE PHARMACEUTICALS, INC. (US) 2017-12-12 — — US claimed
CN-105017152-B Preparation method of 3-chloro-6-nitroisoquinoline or 3-bromine-6-nitroisoquinoline 北京六合宁远科技有限公司 2017-05-10 — — CN claimed
CN-105017152-A Preparation method of 3-chloro(bromo)-6-nitroisoquinoline BEIJING LIUHE NINGYUAN TECHNOLOGY CO LTD 2015-11-04 — — CN claimed
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
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2024-06-06 — — 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
EP-4303216-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-01-10 — — EP disclosed
US-5109018-A Emphysema therapy GEORGIA TECH RESEARCH CORPORATION (US) 1992-04-28 — — US disclosed
US-4801593-A VIRICIDE FOR RHINITIS VIRUS CONTAINING 2-PHENYLTETRALIN DERIVATIVE BURROUGHS WELLCOME CO. (US) 1989-01-31 — — 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
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

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-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 CYP1A2 3776/4885ALDH1A1 3376/4885TDP1 1014/4885
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, HASPIN CYP1A2 1586/4885ALDH1A1 3571/4885TDP1 2576/4885

“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.