SCHEMBL2720764

SCHEMBL2720764

COc1cc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)cc(OC)c1OC

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
KDM4E B2RXH2 1/20 0.64
MAPK1 P28482 1/20 0.64
HSD17B10 Q99714 1/20 0.64
ACHE P22303 3/20 0.58
BACE1 P56817 3/20 0.58
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
MGLL Q99685 1/20 0.53
CYP1A2 P05177 1/20 0.52

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
SCHEMBL18657988 0.87 TSHR (0.71) TSHRKDM4EMAPK1HSD17B10ACHE
SCHEMBL18657981 0.87 TSHR (0.71) TSHRKDM4EMAPK1HSD17B10ACHE
SCHEMBL1554428 0.83 PTPN1 (0.67) KDM4EACHEBACE1SMN1; SMN2LMNA
SCHEMBL4516174 0.82 UBE2M (0.53) KDM4EHSD17B10KMT2AGAA
SCHEMBL1553796 0.79 PTPN1 (0.76) TSHRACHEBACE1ALDH1A1LMNA
SCHEMBL1554138 0.76 PTPN1 (0.60) ACHEBACE1ALDH1A1LMNAKMT2A
SCHEMBL2467822 0.76 NAMPT (0.67) TSHRMAPK1HSD17B10ALDH1A1LMNA
SCHEMBL10334481 0.74 POLB (0.84) KDM4EALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL14019253 0.74 GAA (0.65) TSHRKDM4EMAPK1HSD17B10ALDH1A1
SCHEMBL27511463 0.73 PTPN2 (0.77) TSHRLMNAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3043822-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-20 EP claimed
US-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES The J. David Gladstone Institutes, a testamentary trust established under the Will of J. David Glad 2016-06-30 US claimed
WO-2015038704-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-19 WO claimed
EP-3039126-B1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2019-10-09 EP disclosed
US-9982231-B2 Methods for reprogramming differentiated non-cardiac cells into cardiomyocytes THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2018-05-29 US disclosed
US-20160250260-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-01 US disclosed
EP-3043822-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-20 EP disclosed
EP-3039126-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-06 EP disclosed
US-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES The J. David Gladstone Institutes, a testamentary trust established under the Will of J. David Glad 2016-06-30 US disclosed
WO-2015041809-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-26 WO disclosed
WO-2015038704-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-19 WO disclosed
US-20030096843-A1 Preventives/remedies for kidney diseases MITSUBISHI PHARMA CORPORATION (JP) 2003-05-22 US disclosed
EP-1295607-A1 ANTITUMOR EFFECT POTENTIATORS Mitsubishi Pharma Corporation (JP) 2003-03-26 EP disclosed
US-6451825-B1 FOR THERAPY OF HYPERTENSION, A THERAPEUTIC AGENT OF ANGINA PECTORIS, A SUPPRESSIVE AGENT OF CEREBROVASCULAR CONTRACTION, ASTHMA, PERIPHERAL CIRCULATION DISORDER, AS PROPHYLACTIC AGENT OF IMMATURE BIRTH, A THERAPEUTIC AGENT OF ARTERIOSCLEROSIS MITSUBISHI PHARMA CORPORATION (JP) 2002-09-17 US disclosed
US-20020032148-A1 Pharmaceutical agent containing Rho kinase inhibitor MITSUBISHI PHARMA CORPORATION (JP) 2002-03-14 US disclosed
EP-1177796-A1 PREVENTIVES/REMEDIES FOR LIVER DISEASES Mitsubishi Pharma Corporation (JP) 2002-02-06 EP disclosed
EP-1174150-A1 PREVENTIVES/REMEDIES FOR ANGIOSTENOSIS Mitsubishi Pharma Corporation (JP) 2002-01-23 EP disclosed
EP-1163910-A1 PREVENTIVES/REMEDIES FOR INTERSTITIAL PNEUMONIA AND PULMONARY FIBROSIS Welfide Corporation (JP) 2001-12-19 EP disclosed
EP-1034793-A1 PREVENTIVES/REMEDIES FOR GLAUCOMA Senju Pharmaceutical Co., Ltd. (JP) 2000-09-13 EP disclosed
EP-0956865-A1 MEDICINES COMPRISING Rho KINASE INHIBITOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-11-17 EP 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-20030096843-A1 Preventives/remedies for kidney diseases RHOA, ROCK1, MMP1 TSHR 4559/4885KDM4E 1848/4885MAPK1 234/4885
US-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES MYLK2, TNNI3, TNNT2 TSHR 3457/4885KDM4E 961/4885MAPK1 2137/4885
US-20020032148-A1 Pharmaceutical agent containing Rho kinase inhibitor ROCK1, RHOA, ARHGDIA TSHR 2242/4885KDM4E 3328/4885MAPK1 163/4885

“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.