SCHEMBL3567491

SCHEMBL3567491

O=[N+]([O-])c1ccc2nc(Cl)cnc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 2/20 0.46
NAMPT P43490 1/20 0.46
XDH P47989 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
GUCY1B2 O75343 1/20 0.46
GUCY1A2 P33402 1/20 0.46
GUCY1A1 Q02108 1/20 0.46
GUCY1B1 Q02153 1/20 0.46
OPRK1 P41145 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL30891041 1.00 ALDH1A1 (0.49) ALDH1A1TXNRD1TXNRD3TXNRD2KMT2A
SCHEMBL620331 0.93 ALDH1A1 (0.49) ALDH1A1TXNRD1TXNRD3TXNRD2KMT2A
SCHEMBL3720824 0.81 ALDH1A1 (0.50) ALDH1A1TXNRD1TXNRD3TXNRD2KMT2A
SCHEMBL7307217 0.81 ALDH1A1 (0.47) ALDH1A1TXNRD1TXNRD3TXNRD2KMT2A
SCHEMBL28008455 0.80 ALDH1A1 (0.54) ALDH1A1TXNRD1TXNRD3TXNRD2KMT2A
SCHEMBL31439301 0.80 ALDH1A1 (0.54) ALDH1A1TXNRD1TXNRD3TXNRD2KMT2A
SCHEMBL1551650 0.80 SMN1; SMN2 (0.50) ALDH1A1TXNRD1TXNRD3TXNRD2KMT2A
SCHEMBL1259501 0.79 CYP1A2 (0.55) ALDH1A1TXNRD1TXNRD3TXNRD2KMT2A
SCHEMBL31399941 0.79 CYP1A2 (0.55) ALDH1A1TXNRD1TXNRD3TXNRD2KMT2A
SCHEMBL1207982 0.78 ALDH1A1 (0.57) ALDH1A1TXNRD1TXNRD3TXNRD2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12286429-B2 5-oxo-1,2,3,5,8,8a-hexahydroindolizine-3-carboxamide derivatives useful as a factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2025-04-29 US disclosed
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 US disclosed
EP-4384493-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2024-06-19 EP disclosed
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 CN disclosed
CN-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed
WO-2024044731-A1 DIAZEPINO-THIENO-QUINOXALINE COMPOUNDS AND THEIR USE IN THERAPY MATCHPOINT THERAPEUTICS INC. (US) 2024-02-29 WO disclosed
US-20230064443-A1 5-oxo-1,2,3,5,8,8a-hexahydroindolizine-3-carboxamide Derivatives Useful As a Factor XIa Inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-03-02 US disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 WO disclosed
CN-113896744-A Selective EGFR inhibitor 成都先导药物开发股份有限公司 2022-01-07 CN disclosed
CN-101921238-B Preparation of substituted benzo-nitrogen heterocyclic derivative and pharmacological application thereof FIRST AFFILIATED HOSPITAL SOOCHOW UNIV 2012-04-04 CN disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP disclosed
US-7297698-B2 N-phenyl-(2R,5S) dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2007-11-20 US disclosed
WO-2007027532-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-03-08 WO disclosed
US-20050261303-A1 N-phenyl-(2r,5s) dimethylpiperadine derivative ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1557411-A1 N-PHENYL-(2R,5S)DIMETHYLPIPERADINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-07-27 EP disclosed
WO-1997032858-A1 QUINOXALINE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-12 WO disclosed
EP-0518530-B1 Improvements in or relating to excitatory amino acid receptor antagonists LILLY CO ELI (US) 1996-10-09 EP disclosed
US-5196421-A Treatment of neurological disorders ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed
EP-0518530-A2 Improvements in or relating to excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1992-12-16 EP disclosed
US-5153196-A Administering for reduction of neurotransmission in nervous system disorders ELI LILLY AND COMPANY (US) 1992-10-06 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-20050261303-A1 N-phenyl-(2r,5s) dimethylpiperadine derivative BPHL, QDPR, SRD5A2 ALDH1A1 172/4885TXNRD1 612/4885TXNRD3 328/4885
US-12286429-B2 5-oxo-1,2,3,5,8,8a-hexahydroindolizine-3-carboxamide derivatives useful as a factor XIa inhibitors F11, F12, F13A1 ALDH1A1 2307/4885TXNRD1 4032/4885TXNRD3 2497/4885
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 ALDH1A1 1441/4885TXNRD1 24/4885TXNRD3 76/4885
US-20230064443-A1 5-oxo-1,2,3,5,8,8a-hexahydroindolizine-3-carboxamide Derivatives Useful As a Factor XIa Inhibitors F11, F12, F13A1 ALDH1A1 2398/4885TXNRD1 3980/4885TXNRD3 2630/4885

“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.