SCHEMBL942091

SCHEMBL942091

COc1cccc([N+](=O)[O-])c1CBr

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
TDP1 Q9NUW8 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.54
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.46
MAPT P10636 5/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 4/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL30116206 1.00 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1NPC1RAB9A
SCHEMBL1126722 0.85 ALDH1A1 (0.62) ALDH1A1TDP1L3MBTL1NPC1RAB9A
SCHEMBL7995962 0.83 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1NPC1RAB9A
SCHEMBL29391169 0.83 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1NPC1RAB9A
SCHEMBL18185050 0.83 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1NPC1RAB9A
SCHEMBL3420889 0.82 TDP1 (0.54) ALDH1A1TDP1NPC1RAB9AKMT2A
SCHEMBL27638672 0.81 ALDH1A1 (0.43) ALDH1A1TDP1L3MBTL1HTTGAA
SCHEMBL11048268 0.81 ALDH1A1 (0.57) ALDH1A1TDP1L3MBTL1NPC1RAB9A
SCHEMBL1126997 0.81 ALDH1A1 (0.57) ALDH1A1TDP1L3MBTL1NPC1RAB9A
SCHEMBL942459 0.81 ALDH1A1 (0.57) ALDH1A1TDP1L3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713313-A2 TETRAHYDRONAPTHYRIDINE AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD Springworks Therapeutics, Inc. (US) 2026-03-25 EP disclosed
EP-4709712-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF Blueprint Medicines Corporation (US) 2026-03-18 EP disclosed
EP-4660185-A1 NAV1.7- AND/OR NAV1.8-INHIBITING AMIDES, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS Eurofarma Laboratórios S.A. (BR) 2025-12-10 EP disclosed
US-12384751-B2 Allosteric activators of the ALPHA1A-adrenergic receptor THE CLEVELAND CLINIC FOUNDATION (US) 2025-08-12 US disclosed
US-20240417398-A1 TETRAHYDRONAPTHYRIDINE AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD SPRINGWORKS THERAPEUTICS, INC. 2024-12-19 US disclosed
WO-2024238763-A2 TETRAHYDRONAPTHYRIDINE AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD SPRINGWORKS THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed
WO-2024233900-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF BLUEPRINT MEDICINES CORPORATION (US) 2024-11-14 WO disclosed
EP-3958851-B1 ALLOSTERIC ACTIVATORS OF THE ALPHA IA-ADRENERGIC RECEPTOR CLEVELAND CLINIC FOUND (US) 2024-08-14 EP disclosed
WO-2024159288-A1 NAV1.7- AND/OR NAV1.8-INHIBITING AMIDES, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2024-08-08 WO disclosed
EP-3421454-B9 PIPERIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2023-08-09 EP disclosed
US-20030069226-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-04-10 US disclosed
US-6506901-B2 1-(9H-Carbazol-4-yloxy)-3-((1-(7-trifluoromethyl-quinolin-4-yl) -piperidin-4-lmethyl)-amino)-propan-2-ol, for example; treating diabetes, urinary continence, atherosclerosis, gastrointestinal disorders, glaucoma WYETH 2003-01-14 US disclosed
WO-2002076982-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-10-03 WO disclosed
EP-1236717-A1 OXIME O-ETHER COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD. (JP) 2002-09-04 EP disclosed
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-28 US disclosed
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS WYETH (US) 2002-01-24 WO disclosed
WO-2001044184-A1 SYNTHESIS OF INDOLE-CONTAINING SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2001-06-21 WO disclosed
US-4668686-A 1,3-DIHYDRO-2H-IMIDAZO/4,5-B/QUINOLINE-2-ONES BRISTOL-MYERS COMPANY (US) 1987-05-26 US disclosed
US-4310527-A DISORDERS OF CAROIAC RHYTHM AND CORONARY HEART DISEASES AND HYDPERTENSION CIBA-GEIGY CORPORATION (US) 1982-01-12 US disclosed
US-4140789-A ADRENERGIC BLOCKING AGENTS, CARDIOTONIC, ANTIARRHYTHMIA, HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1979-02-20 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 (4 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-20030069226-A1 Non-nucleoside reverse transcriptase inhibitors RCOR1, CBR1, SUB1 ALDH1A1 1568/4885TDP1 439/4885L3MBTL1 212/4885
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB2 ALDH1A1 783/4885TDP1 3616/4885L3MBTL1 4066/4885
US-12384751-B2 Allosteric activators of the ALPHA1A-adrenergic receptor ADRA1A, ADRB1, ADRA1D ALDH1A1 145/4885TDP1 987/4885L3MBTL1 1740/4885
US-20240417398-A1 TETRAHYDRONAPTHYRIDINE AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD YAP1, TEAD2, TEAD1 ALDH1A1 3016/4885TDP1 680/4885L3MBTL1 733/4885

“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.