SCHEMBL3756029

SCHEMBL3756029

Cc1oc(-c2ccccc2)nc1CN

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
HRH3 Q9Y5N1 3/20 0.56
HPGD P15428 1/20 0.55
PPARG P37231 4/20 0.50
PPARA Q07869 4/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
KDR P35968 1/20 0.49
LMNA P02545 1/20 0.49
PDE10A Q9Y233 1/20 0.48
NOTUM Q6P988 1/20 0.47
FFAR1 O14842 1/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARD Q03181 1/20 0.47
KDM1A O60341 1/20 0.47
TP53 P04637 1/20 0.46
KLKB1 P03952 1/20 0.46
KLK1 P06870 1/20 0.46

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
SCHEMBL1436970 0.86 HRH3 (0.61) KDM4EHRH3HPGDPPARGPPARA
Hydrochloric Acid SCHEMBL6387846 0.85 HRH3 (0.59) KDM4EHRH3HPGDPPARGPPARA
SCHEMBL4029878 0.85 KDM4E (0.52) KDM4EHRH3HPGDPPARGPPARA
SCHEMBL266619 0.84 KDM4E (0.66) KDM4EHRH3HPGDPPARGPPARA
SCHEMBL14431360 0.83 TARBP2 (0.50) KDM4EHRH3HPGDPPARGPPARA
SCHEMBL10025195 0.83 KDM4E (0.60) KDM4EHRH3HPGDPPARGPPARA
SCHEMBL503999 0.82 KDM4E (0.64) KDM4EHRH3HPGDPPARGPPARA
SCHEMBL1047012 0.82 KDM4E (0.64) KDM4EHRH3HPGDPPARGPPARA
SCHEMBL4037331 0.82 KDM4E (0.69) KDM4EHRH3HPGDPPARGPPARA
SCHEMBL1596084 0.82 KDM4E (0.64) KDM4EHRH3HPGDPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same DAIICHI PHARMACEUTICAL CO., LTD. 2007-09-06 US disclosed
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1731513-A1 PHENOXYACETIC ACID DERIVATIVE AND MEDICINE CONTAINING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-13 EP disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed
US-5330998-A Anticholesterol agents PFIZER INC. (US) 1994-07-19 US disclosed
EP-0389699-B1 Thiazolidinedione derivatives as hypoglycemic agents PFIZER (US) 1994-05-11 EP disclosed
EP-0389699-A1 Thiazolidinedione derivatives as hypoglycemic agents PFIZER INC. (US) 1990-10-03 EP disclosed
WO-1989008652-A1 THIAZOLIDINEDIONE DERIVATIVES AS HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1989-09-21 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 KDM4E 4057/4885HRH3 2171/4885HPGD 2802/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KDM4E 4100/4885HRH3 819/4885HPGD 592/4885
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same PPARA, PPARG, PPARD KDM4E 1682/4885HRH3 876/4885HPGD 976/4885

“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.