SCHEMBL260336

SCHEMBL260336

N#CCc1c[nH]c2c([N+](=O)[O-])cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
DNA2 P51530 1/20 0.49
CASP6 P55212 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
CLK1 P49759 2/20 0.43
DYRK1A Q13627 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 4/20 0.42
PARP1 P09874 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FBP1 P09467 3/20 0.39
CSNK2A1 P68400 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL2537517 0.78 MPO (0.59) DNA2CASP6CTDSP1CLK1DYRK1A
SCHEMBL28964528 0.78 DNA2 (0.53) ALDH1A1DNA2CASP6CTDSP1CLK1
SCHEMBL3065948 0.78 DYRK1A (0.57) ALDH1A1HPGDDNA2CASP6CTDSP1
SCHEMBL30799165 0.77 DNA2 (0.49) ALDH1A1HPGDDNA2CASP6CTDSP1
SCHEMBL260104 0.77 ALDH1A1 (0.56) ALDH1A1HPGDCLK1MAPTNPC1
SCHEMBL2884374 0.77 DNA2 (0.59) ALDH1A1HPGDDNA2CASP6CTDSP1
SCHEMBL260846 0.77 DNA2 (0.49) ALDH1A1HPGDDNA2CASP6CTDSP1
Iodide SCHEMBL5650891 0.76 DNA2 (0.48) ALDH1A1HPGDDNA2CASP6CTDSP1
SCHEMBL6538006 0.75 DNA2 (0.68) ALDH1A1DNA2CASP6CTDSP1CLK1
SCHEMBL5648910 0.75 DNA2 (0.47) ALDH1A1HPGDDNA2CASP6CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4573088-A1 HETEROCYCLE RBM39 MODULATORS Recursion Pharmaceuticals, Inc. (US) 2025-06-25 EP disclosed
CN-119630658-A Heterocyclic RBM39 modulators 递归医药公司 2025-03-14 CN disclosed
US-20240092770-A1 Heterocycle RMB39 Modulators RECURSION PHARMACEUTICALS, INC. 2024-03-21 US disclosed
WO-2024039689-A1 HETEROCYCLE RBM39 MODULATORS RECURSION PHARMACEUTICALS, INC. (US) 2024-02-22 WO disclosed
EP-1859798-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2015-12-30 EP disclosed
EP-1951042-B1 SPIROLACTAM TRICYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
EP-1951051-B1 SPIROHYDANTOIN TRICYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-10-03 EP disclosed
US-8163752-B2 Tricyclic anilide heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-04-24 US disclosed
US-8133891-B2 Tricyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-03-13 US disclosed
US-8044090-B2 N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor ELI LILLY (US) 2011-10-25 US disclosed
EP-1793827-A2 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-06-13 EP disclosed
WO-2007061694-A2 SPIROHYDANTOIN TRICYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 WO disclosed
WO-2007061692-A2 SPIROLACTAM TRICYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 WO disclosed
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2007-05-03 US disclosed
US-7157488-B2 N-(2-Arylethyl) benzylamines as antagonists of the 5-HT6 receptor ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
WO-2006031491-A2 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-23 WO disclosed
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 US disclosed
CN-1610547-A N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor LILLY CO ELI (US) 2005-04-27 CN disclosed
EP-1379239-A2 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 WO 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-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B ALDH1A1 1218/4885HPGD 1442/4885DNA2 2805/4885
US-20240092770-A1 Heterocycle RMB39 Modulators PRMT9, RCC2, RBBP9 ALDH1A1 3570/4885HPGD 3013/4885DNA2 871/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B ALDH1A1 1218/4885HPGD 1442/4885DNA2 2805/4885

“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.