SCHEMBL520396

SCHEMBL520396

O=[N+]([O-])c1cccc(N2CCN(CCO)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.56
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
ENPP2 Q13822 4/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 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
SCHEMBL31232720 0.86 HTR7 (0.56) HTR7DRD2DRD4DRD3ENPP2
Hydrochloric Acid SCHEMBL31232759 0.85 HTR7 (0.58) HTR7DRD2DRD4DRD3ENPP2
SCHEMBL2635271 0.84 DRD2 (0.55) HTR7DRD2DRD4DRD3MAPT
SCHEMBL3187979 0.83 DRD2 (0.57) HTR7DRD2DRD4DRD3ENPP2
SCHEMBL1126076 0.83 MAPT (0.60) HTR7ENPP2MAPTKDM4EMEN1
SCHEMBL3187986 0.83 DRD2 (0.54) HTR7DRD2DRD4DRD3MAPT
SCHEMBL3878699 0.83 DRD2 (0.54) HTR7DRD2DRD4DRD3MAPT
SCHEMBL2717022 0.82 SIRT6 (0.64) MAPTKMT2ALMNA
SCHEMBL6151796 0.82 SIRT6 (0.64) MAPTKMT2ALMNA
SCHEMBL2658558 0.82 POLB (0.56) HTR7DRD2DRD4DRD3ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624063-A Heterocyclic compound and application thereof 中国科学院上海药物研究所 2024-03-01 CN disclosed
WO-2022157166-A1 THIAZOLOPYRIMIDONES AS INHIBITORS OF DDR1/2 AND THERAPEUTIC USES THEREOF Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2022-07-28 WO disclosed
EP-4032896-A1 THIAZOLOPYRIMIDONES AS INHIBITORS OF DDR1/2 AND THERAPEUTIC USES THEREOF Fundación del Sector Público Estatal Centro Nacional de Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2022-07-27 EP disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed
US-20050267126-A1 Compounds derived from aryl carbamates, preparation thereof and uses of same CEREP (FR) 2005-12-01 US disclosed
US-6936613-B2 Benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S (DK) 2005-08-30 US disclosed
EP-1530564-A2 COMPOUNDS DERIVED FROM ARYL CARBAMATES, PREPARATION THEREOF AND USES OF SAME Cerep (FR) 2005-05-18 EP disclosed
CN-1167686-C Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds О 2004-09-22 CN disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
WO-2004018436-A2 COMPOUNDS DERIVED FROM ARYL CARBAMATES, PREPARATION THEREOF AND USES OF SAME CEREP (FR) 2004-03-04 WO disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US disclosed
CN-1356987-A Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds NEUROSEARCH AS (DK) 2002-07-03 CN disclosed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 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 (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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 HTR7 2186/4885DRD2 1816/4885DRD4 2795/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 HTR7 2008/4885DRD2 1504/4885DRD4 2459/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 HTR7 3482/4885DRD2 2358/4885DRD4 2424/4885
US-20050267126-A1 Compounds derived from aryl carbamates, preparation thereof and uses of same HTR4, HTR2B, HTR1B HTR7 9/4885DRD2 96/4885DRD4 39/4885

“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.