SCHEMBL852960

SCHEMBL852960

O=[N+]([O-])c1ccc(CCN2CCOCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 14/20 0.79
KCNH2 Q12809 11/20 0.79
HRH3 Q9Y5N1 1/20 0.74
ALDH1A1 P00352 1/20 0.70
LMNA P02545 1/20 0.70
MAPT P10636 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
SIGMAR1 Q99720 1/20 0.63
MEN1 O00255 1/20 0.61
POLB P06746 1/20 0.61
KMT2A Q03164 1/20 0.61
MAOA P21397 1/20 0.61
PKM P14618 1/20 0.59

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
SCHEMBL4989061 0.90 KCNJ1 (0.69) KCNJ1KCNH2HRH3ALDH1A1LMNA
SCHEMBL2731306 0.89 KCNJ1 (1.00) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL5653299 0.85 HRH3 (0.93) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL3156895 0.85 HRH3 (1.00) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL914324 0.84 HRH3 (0.97) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL3156570 0.84 HRH3 (0.97) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL445885 0.84 ALDH1A1 (0.97) KCNJ1HRH3ALDH1A1LMNAMAPT
SCHEMBL10359671 0.83 KCNJ1 (0.82) KCNJ1KCNH2HRH3SIGMAR1POLB
Hydrochloric Acid SCHEMBL16370438 0.83 ALDH1A1 (0.94) KCNJ1HRH3ALDH1A1LMNAMAPT
SCHEMBL14726057 0.83 ALDH1A1 (1.00) KCNJ1HRH3ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023237759-A1 DIHYDRO[1,8]NAPHTHYRIDIN-7-ONE AND PYRIDO[3,2-B][1,4]OXAZIN-3-ONE FOR USE IN TREATING CANCER, AND METASTASES IN PARTICULAR ANAGENESIS BIOTECHNOLOGIES (FR) 2023-12-14 WO disclosed
EP-4289427-A1 DIHYDRO[1,8]NAPHTHYRIDIN-7-ONE AND PYRIDO[3,2-B][1,4]OXAZIN-3-ONE FOR USE IN TREATING CANCER, AND METASTASES IN PARTICULAR. Anagenesis Biotechnologies (FR) 2023-12-13 EP disclosed
EP-3205645-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-10-23 EP disclosed
EP-3040329-B1 AROMATIC COMPOUND AND USE THEREOF IN THE TREATMENT OF DISORDERS ASSOCIATED WITH BONE METABOLISM KYOTO PHARMA IND (JP) 2018-10-10 EP disclosed
US-10059663-B2 Aromatic compound and use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2018-08-28 US disclosed
US-9957251-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-01 US disclosed
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
EP-3205645-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-08-16 EP disclosed
US-20170044132-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-16 US disclosed
US-9452996-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-09-27 US disclosed
WO-2003027102-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 WO disclosed
US-20030060453-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2003-03-27 US disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 US disclosed
EP-1100779-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-05-23 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed
EP-1071665-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 WO disclosed
WO-1999052869-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-21 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-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C KCNJ1 3031/4885KCNH2 3616/4885HRH3 3355/4885
US-10059663-B2 Aromatic compound and use thereof SOST, ALPI, FGF23 KCNJ1 3810/4885KCNH2 4290/4885HRH3 1248/4885
US-20170044132-A1 HETEROCYCLIC COMPOUND CDK19, CDK9, CDK8 KCNJ1 2247/4885KCNH2 2285/4885HRH3 3417/4885

“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.