SCHEMBL1553796

SCHEMBL1553796

O=C(Nc1ccncc1)C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.76
PTPN2 P17706 1/20 0.76
ACHE P22303 3/20 0.68
BACE1 P56817 3/20 0.68
LMNA P02545 2/20 0.63
TDP1 Q9NUW8 1/20 0.62
ALDH1A1 P00352 1/20 0.61
CYP2C19 P33261 1/20 0.61
PABPC1 P11940 1/20 0.60
EIF4H Q15056 1/20 0.60
ABL1 P00519 1/20 0.58
RIN1 Q13671 1/20 0.58
EPHX2 P34913 1/20 0.57
MGLL Q99685 3/20 0.57
HTT P42858 1/20 0.56
YAP1 P46937 1/20 0.55
TEAD4 Q15561 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL1554428 0.95 PTPN1 (0.67) PTPN1PTPN2ACHEBACE1LMNA
SCHEMBL23086155 0.90 PTPN1 (0.86) PTPN1PTPN2ACHEBACE1LMNA
SCHEMBL1554138 0.89 PTPN1 (0.60) PTPN1PTPN2ACHEBACE1LMNA
SCHEMBL16568979 0.87 ENPP2 (0.63) PTPN1PTPN2ACHEBACE1LMNA
SCHEMBL2467822 0.81 NAMPT (0.67) PTPN1PTPN2LMNATDP1ALDH1A1
SCHEMBL23086052 0.80 MGLL (0.80) PTPN1PTPN2ACHEBACE1LMNA
SCHEMBL2720764 0.79 TSHR (0.71) ACHEBACE1LMNAALDH1A1MGLL
SCHEMBL2476561 0.78 ENPP2 (0.70) TDP1CYP2C19HTTCYP3A4
SCHEMBL2471990 0.78 CYP2C19 (0.58) PTPN1PTPN2LMNATDP1CYP2C19
SCHEMBL1554194 0.78 TDP1 (0.61) TDP1

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 52 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
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
US-6218410-B1 ADMINISTERING A PHARMACEUTICALLY EFFECTIVE AMOUNT OF A RHO KINASE INHIBITOR COMPRISING AMIDE COMPOUND FOR INHIBITING RHO KINASE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-04-17 US 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 (2 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-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES MYLK2, TNNI3, TNNT2 PTPN1 3868/4885PTPN2 3061/4885ACHE 4870/4885
US-20020032148-A1 Pharmaceutical agent containing Rho kinase inhibitor ROCK1, RHOA, ARHGDIA PTPN1 2081/4885PTPN2 2213/4885ACHE 425/4885

“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.