SCHEMBL289649

SCHEMBL289649

O=CNCCCN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.55
HPGD P15428 1/20 0.53
DUSP3 P51452 1/20 0.53
GAA P10253 2/20 0.51
MAPK1 P28482 1/20 0.51
HIF1A Q16665 1/20 0.51
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
KEAP1 Q14145 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
EPHX1 P07099 1/20 0.44

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
Hydrochloric Acid SCHEMBL11543244 0.98 PAOX (0.54) PAOXHPGDDUSP3GAAMAPK1
SCHEMBL10502043 0.96 PAOX (0.51) PAOXHPGDDUSP3GAAMAPK1
SCHEMBL170215 0.88 PAOX (0.46) PAOXHPGDDUSP3GAAMAPK1
SCHEMBL20407305 0.86
SCHEMBL16207271 0.86 ADH1B (0.46) PAOXGAAMAPK1LMNASMN1; SMN2
SCHEMBL1306927 0.82 HRH3 (0.46) MAPK1LMNASMN1; SMN2EPHX1
SCHEMBL3321937 0.82 ADH1B (0.43) PAOXMAPK1LMNASMN1; SMN2EPHX1
SCHEMBL721355 0.81 PAOX (0.64) PAOXHPGDDUSP3GAAMAPK1
SCHEMBL3157433 0.81 HPGD (0.58) PAOXHPGDDUSP3GAAMAPK1
SCHEMBL3954270 0.81 ALDH1A1 (0.45) PAOXHPGDDUSP3GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US claimed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN claimed
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP claimed
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US claimed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
US-7902190-B2 Indol derivatives, the method for preparing thereof and composition for the prevention and treatment of metabolic disorder containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2011-03-08 US claimed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US claimed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO claimed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP claimed
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US claimed
WO-2001064655-A1 2, 4-DI(HETERO-)ARYLAMINO (-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2001-09-07 WO claimed
WO-2001060814-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2001-08-23 WO claimed
US-5939233-A PHOTOGRAPHIC FILMS WITH SULFONAMIDO HYDRAZIDES HAVING PYRIDINIUM GROUPS KODAK POLYCHROME GRAPHICS LLC (US) 1999-08-17 US claimed
EP-0929526-A1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ZENECA LIMITED (GB) 1999-07-21 EP claimed
US-5908930-A 5,10-dihydropyrimdo 4,5-b!quinolin-4(1H)-one tyrosine kinase inhibitors PFIZER INC. (US) 1999-06-01 US claimed
WO-1998013350-A1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ZENECA LIMITED (GB) 1998-04-02 WO claimed
WO-1996028444-A1 5,10-DIHYDROPYRIMIDO[4,5-b]QUINOLIN-4(1H)-ONE TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1996-09-19 WO claimed
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 US claimed
EP-0078478-B1 HIGH-FREQUENCY WELDABLE POLYURETHANE FOAMS, AND PROCESS FOR PREPARING THE SAME BAYER AG (DE) 1986-05-21 EP claimed
US-4122265-A APPETITE SUPPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1978-10-24 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 (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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 PAOX 373/4885HPGD 88/4885DUSP3 3949/4885
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF PAOX 1564/4885HPGD 1183/4885DUSP3 318/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR PAOX 1544/4885HPGD 237/4885DUSP3 770/4885

“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.