SCHEMBL635552

SCHEMBL635552

COc1cccc(C(=O)c2cc(Cl)ccc2N)c1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.56
RORC P51449 3/20 0.49
RORB Q92753 3/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 2/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 1/20 0.45
FADS1 O60427 1/20 0.45
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
ABL1 P00519 1/20 0.43

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
SCHEMBL4124299 0.89 RECQL (0.50) RECQLRORCRORBSMN1; SMN2LMNA
SCHEMBL4118877 0.87 RECQL (0.49) RECQLRORCRORBFADS1ABL1
SCHEMBL4117946 0.87 RECQL (0.49) RECQLRORCRORBKDM4EFADS1
SCHEMBL4125266 0.87 RECQL (0.57) RECQLRORCRORBKDM4EALDH1A1
SCHEMBL2705425 0.87 RECQL (0.65) RECQLRORCRORBNPC1KDM4E
SCHEMBL4132207 0.86 RECQL (0.56) RECQLRORCRORBKDM4EFADS1
SCHEMBL4130920 0.86 RECQL (0.42) RECQLRORCRORBNPC1RAB9A
SCHEMBL4119074 0.86 NPC1 (0.47) RORCRORBNPC1RAB9AKDM4E
SCHEMBL4124662 0.86 RECQL (0.56) RECQLRORCRORBKDM4EALDH1A1
SCHEMBL3586573 0.85 KDM4E (0.49) RORCRORBNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981147-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-8981147-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-8981147-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-19 US disclosed
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-19 US disclosed
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-19 US disclosed
US-8691718-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-08 US disclosed
US-8691718-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-08 US disclosed
EP-1927596-B9 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2013-05-15 EP disclosed
EP-1927596-B9 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2013-05-15 EP disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP disclosed
EP-1927596-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2008-06-04 EP disclosed
EP-1927596-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2008-06-04 EP disclosed
WO-2008003424-A1 SUBSTITUTED BENZOXEPINO-ISOXAZOLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2008-01-10 WO disclosed
WO-2008003424-A1 SUBSTITUTED BENZOXEPINO-ISOXAZOLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2008-01-10 WO disclosed
US-20070238721-A1 Highly Selective Novel Amidation Method TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-11 US disclosed
US-20070238721-A1 Highly Selective Novel Amidation Method TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-11 US disclosed
US-20070238721-A1 Highly Selective Novel Amidation Method TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-11 US disclosed
EP-1706413-A1 TRICYCLIC BENZAZEPINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS USED FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2006-10-04 EP disclosed
WO-2005068472-A1 TRICYCLIC BENZAZEPINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS USED FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2005-07-28 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 (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-20070238721-A1 Highly Selective Novel Amidation Method NAAA, CPS1, COASY RECQL 3493/4885RORC 4201/4885RORB 4558/4885
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME MVD, C5, C1S RECQL 513/4885RORC 1434/4885RORB 1339/4885

“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.