Sugi Predict

Sugi Predict / Compounds / SCHEMBL116052

SCHEMBL116052

SCHEMBL116052

COCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.60
▸ ALDH1A1 P00352 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ POLB P06746 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ KCNH2 Q12809 5/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.55
▸ PTGS2 P35354 2/20 0.54
▸ DRD2 P14416 1/20 0.54
▸ DRD4 P21917 1/20 0.54
▸ DRD3 P35462 1/20 0.54
▸ TP53 P04637 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ LTA4H P09960 1/20 0.51
▸ PTGS1 P23219 1/20 0.51

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
SCHEMBL4535882 0.95 ALDH1A1 (0.63) MAPTALDH1A1LMNAPOLBGAA
SCHEMBL11155200 0.95 ALDH1A1 (0.63) MAPTALDH1A1LMNAPOLBGAA
SCHEMBL15814213 0.92 ALDH1A1 (0.56) MAPTALDH1A1LMNAPOLBGAA
SCHEMBL21331697 0.91 MAPT (0.57) MAPTALDH1A1LMNAPOLBKCNH2
SCHEMBL6228523 0.90 MAPT (0.65) MAPTALDH1A1LMNAPOLBGAA
SCHEMBL8417803 0.88 LMNA (0.52) MAPTALDH1A1LMNAPOLBGAA
SCHEMBL5285385 0.85 ACHE (0.67) MAPTALDH1A1LMNAGAAKCNH2
SCHEMBL6245246 0.85 KCNH2 (0.71) MAPTALDH1A1LMNAPOLBGAA
SCHEMBL30719663 0.85 MAPT (0.59) MAPTALDH1A1LMNAPOLBGAA
SCHEMBL8456712 0.85 ALDH1A1 (0.62) MAPTALDH1A1LMNAPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486865-A Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2024-02-02 — — CN disclosed
CN-112592334-B Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2023-10-27 — — CN disclosed
CN-116354964-A 7 (8H) -pteridinone derivatives as BTK inhibitors and uses thereof 华东理工大学 2023-06-30 — — CN disclosed
CN-112592334-A Pyrimidine derivatives as kinase inhibitors 艾森生物科学公司 2021-04-02 — — CN disclosed
CN-107922345-B Arylsulfonamide compounds as carbonic anhydrase inhibitors and their therapeutic use 圣诺康生命科学公司 2021-03-23 — — CN disclosed
US-10562918-B2 Heterocyclic compounds and uses thereof ACEA Therapeutics, Inc. (US) 2020-02-18 — — US disclosed
US-10562918-B2 Heterocyclic compounds and uses thereof ACEA Therapeutics, Inc. (US) 2020-02-18 — — US disclosed
US-10562859-B2 Aryl sulfonamide compounds as carbonic anhydrase inhibitors and their therapeutic use SIGNALCHEM LIFESCIENCES CORPORATION (CA) 2020-02-18 — — US disclosed
EP-3019496-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ACEA THERAPEUTICS INC (US) 2019-09-11 — — EP disclosed
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. 2018-09-06 — — US disclosed
US-6211359-B1 QUANTITATIVE ANALYSIS AVL MEDICAL INSTRUMENTS (CH) 2001-04-03 — — US disclosed
EP-1081152-A1 Triaza-cryptand and method of determining an alkali ion AVL Medical Instruments AG (CH) 2001-03-07 — — EP disclosed
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 — — US disclosed
US-5661169-A HAVE AFFINITY FOR VASOPRESSIN AND/OR OXYTOCIN RECEPTORS SANOFI (FR) 1997-08-26 — — US disclosed
US-5585394-A INHIBITOR, ANTAGONIST OF VASOPRESSIN OR OXYTOCIN SANOFI (FR) 1996-12-17 — — US disclosed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 — — EP disclosed
EP-0694536-A1 1-Benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-01-31 — — EP disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 — — WO disclosed
EP-0636614-A1 Derivatives of 1-benzenesulfonyl-1,3-dihydro-2H-benzimidazol-2-one, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-02-01 — — EP disclosed
US-4176229-A CATIONIC INDOLE DYE USED ON ANIONICALLY MODIFIED FIBERS BASF AKTIENGESELLSCHAFT (DE) 1979-11-27 — — 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-10562918-B2 Heterocyclic compounds and uses thereof BMX, BLK, BTK MAPT 2803/4885ALDH1A1 4165/4885LMNA 4138/4885
US-10562859-B2 Aryl sulfonamide compounds as carbonic anhydrase inhibitors and their therapeutic use CA9, CA4, CA7 MAPT 4413/4885ALDH1A1 131/4885LMNA 4020/4885
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK MAPT 2803/4885ALDH1A1 4165/4885LMNA 4138/4885

“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.