SCHEMBL170215

SCHEMBL170215

O=CNCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.43
DUSP3 P51452 1/20 0.43
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KEAP1 Q14145 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL10502043 0.88 PAOX (0.51) PAOXHPGDDUSP3MAPK1HIF1A
SCHEMBL289649 0.88 PAOX (0.55) PAOXHPGDDUSP3MAPK1HIF1A
Hydrochloric Acid SCHEMBL11543244 0.86 PAOX (0.54) PAOXHPGDDUSP3MAPK1HIF1A
SCHEMBL14431493 0.84
SCHEMBL1307631 0.80 CARM1 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL5748707 0.80
SCHEMBL8333287 0.80 ALDH1A1 (0.46) PAOXCA12CA1CA2CA9
SCHEMBL4401738 0.80 CA12 (0.53) PAOXCA12CA1CA2CA9
SCHEMBL9557639 0.79 CA12 (0.46) PAOXCA12CA1CA2CA9
SCHEMBL20689157 0.79 CA12 (0.46) CA12CA1CA2CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024104384-A1 INDENE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS NUCMITO PHARMACEUTICALS CO. LTD. (CN) 2024-05-23 WO claimed
CN-112107568-B Diaryl amide compound and application thereof 北京龙嘉博创医药科技有限公司 2022-03-25 CN claimed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 EP claimed
EP-3212647-B1 NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG A ST CO LTD (KR) 2019-04-03 EP claimed
US-9834550-B2 Pyridopyrimidinone compounds for modulating the catalytic activity of histone lysine demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2017-12-05 US claimed
EP-3212647-A2 NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) Dong-A ST Co., Ltd. (KR) 2017-09-06 EP claimed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US claimed
WO-2016068580-A2 NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2016-05-06 WO claimed
US-20160122343-A1 Novel Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2016-05-05 US claimed
EP-1713806-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2013-05-08 EP claimed
US-5616578-A Method of treating human immunodeficiency virus infection using a cyclic protease inhibitor in combination with a reverse transcriptase inhibitor THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-01 US claimed
WO-1996040652-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-19 WO claimed
US-5559110-A HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-24 US claimed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US claimed
EP-0691961-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-17 EP claimed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 EP claimed
WO-1994022840-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO claimed
WO-1994019329-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-09-01 WO claimed
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 US claimed
US-4396613-A DEMYCINOSYLTYLOSIN, ANTIBIOTICS ELI LILLY AND COMPANY (US) 1983-08-02 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160122343-A1 Novel Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) KDM1B, KDM1A, KDM3B PAOX 1395/4885CA12 4642/4885CA1 4361/4885

“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.