Sugi Predict

Sugi Predict / Compounds / SCHEMBL365344

SCHEMBL365344

SCHEMBL365344

O=[N+]([O-])c1cccc(CCCl)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.73
▸ LMNA P02545 2/20 0.57
▸ ALDH1A1 P00352 5/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ SIGMAR1 Q99720 2/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ ACHE P22303 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TRPV1 Q8NER1 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PYCR1 P32322 1/20 0.48

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
SCHEMBL1935375 0.89 TSHR (0.69) TSHRLMNAALDH1A1TDP1SIGMAR1
SCHEMBL9710728 0.85 TSHR (1.00) TSHRLMNAALDH1A1TDP1CYP1A2
SCHEMBL356063 0.85 TSHR (1.00) TSHRLMNAALDH1A1TDP1CYP1A2
SCHEMBL4269263 0.84 TSHR (0.61) TSHRLMNAALDH1A1TDP1SIGMAR1
SCHEMBL15921150 0.83 TSHR (0.65) TSHRLMNAALDH1A1SIGMAR1CYP1A2
SCHEMBL7399400 0.83 TSHR (0.65) TSHRLMNAALDH1A1TDP1SIGMAR1
SCHEMBL3213418 0.81 TSHR (0.62) TSHRLMNAALDH1A1TDP1SIGMAR1
SCHEMBL5255228 0.81 TSHR (0.62) TSHRLMNAALDH1A1TDP1SIGMAR1
SCHEMBL680656 0.81 TSHR (0.62) TSHRLMNAALDH1A1TDP1SIGMAR1
SCHEMBL78754 0.81 TSHR (0.62) TSHRLMNAALDH1A1TDP1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4085059-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME Accro Bioscience (HK) Limited (HK) 2022-11-09 — — EP disclosed
US-11078168-B2 Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase Phenex Discovery Verwaltungs-GmbH (DE) 2021-08-03 — — US disclosed
WO-2021138694-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2021-07-08 — — WO disclosed
CN-111763162-A Diamine compound containing sulfoxide group bridge chain, and synthetic method and application thereof 武汉依麦德新材料科技有限责任公司 2020-10-13 — — CN disclosed
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-09-26 — — US disclosed
EP-3535259-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3- DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-09-11 — — EP disclosed
EP-3126365-A1 MACROCYLIC PYRIDINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2017-02-08 — — EP disclosed
WO-2016124747-A1 COMPOUNDS WITH ANTI-TUMORAL ACTIVITY AB SCIENCE (FR) 2016-08-11 — — WO disclosed
WO-2015150557-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-10-08 — — WO disclosed
EP-2736904-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS SELECTIVE PROTEIN KINASE INHIBITORS (C-KIT) AB Science (FR) 2014-06-04 — — EP disclosed
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP disclosed
WO-2013014170-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS SELECTIVE PROTEIN KINASE INHIBITORS (C-KIT) AB SCIENCE (FR) 2013-01-31 — — WO disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 — — WO disclosed
EP-1185522-A1 SUBSTITUTED PHENYL COMPOUNDS WITH IMMUNOSUPPRESSING ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2002-03-13 — — EP disclosed
WO-2000071529-A1 SUBSTITUTED PHENYL COMPOUNDS WITH IMMUNOSUPPRESSING ACTIVITY AND PHARMACEUTICAL COMPOSITIONS ASTRAZENECA AB (SE) 2000-11-30 — — WO disclosed
CN-1243505-A Benzamidine derivatives AJINOMOTO KK (JP) 2000-02-02 — — CN disclosed
EP-0055616-A1 Antibacterial compounds BEECHAM GROUP PLC (GB) 1982-07-07 — — 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-11078168-B2 Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT TSHR 2457/4885LMNA 4632/4885ALDH1A1 650/4885
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT TSHR 2457/4885LMNA 4632/4885ALDH1A1 650/4885

“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.