SCHEMBL4057481

SCHEMBL4057481

NC(=O)N=NC(=O)N(N1CCOCC1)N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EHMT1 Q9H9B1 1/20 0.37
LMNA P02545 1/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL7035250 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4HPGDEHMT2HSD17B10
SCHEMBL7025888 0.79 ALDH1A1 (0.39) ALDH1A1CYP3A4HPGDEHMT2HSD17B10
SCHEMBL29840697 0.69 HSD17B10 (0.41) KDM4EALDH1A1HSD17B10HTTSMN1; SMN2
SCHEMBL27921097 0.68 KDM4E (0.38) KDM4EHTTSMN1; SMN2CA12CA1
SCHEMBL27573843 0.66 KDM4E (0.43) KDM4EHSD17B10LMNAHTTSMN1; SMN2
SCHEMBL11742751 0.64 KDM4E (0.42) KDM4EHSD17B10LMNAHTTSMN1; SMN2
SCHEMBL1535150 0.64 CA12 (0.37) KDM4EALDH1A1LMNACA12CA1
SCHEMBL78979 0.64
SCHEMBL4160204 0.63 KDM4E (0.45) KDM4EHSD17B10LMNAHTTSMN1; SMN2
SCHEMBL11810597 0.62 KDM4E (0.44) KDM4EHSD17B10LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268935-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-09-18 US claimed
JP-2009501246-A 2009-01-15 JP claimed
EP-1901778-A2 PREPARATION OF POLYMER CONJUGATES OF THERAPEUTIC, AGRICULTURAL, AND FOOD ADDITIVE COMPOUNDS Elan Pharmaceuticals Inc. (US) 2008-03-26 EP claimed
US-20070021555-A1 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. 2007-01-25 US claimed
WO-2007008563-A2 PREPARATION OF PEGYLATED CONJUGATES OF VLA-4 ANTAGONISTS VIA A MITSUNOBU' S REACTION ELAN PHARMACEUTICALS, INC. (US) 2007-01-18 WO claimed
JP-3043813-B2 2000-05-22 JP claimed
US-5847164-A Method for the preparation of chromanone 7 SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 1998-12-08 US claimed
EP-0775130-A1 METHOD FOR THE PREPARATION OF (+/-)-CALANOLIDE A AND INTERMEDIATES THEREOF MEDICHEM RESEARCH, INC. (US) 1997-05-28 EP claimed
WO-1996004263-A1 METHOD FOR THE PREPARATION OF (±)-CALANOLIDE A AND INTERMEDIATES THEREOF MEDICHEM RESEARCH, INC. (US) 1996-02-15 WO claimed
US-20140073788-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-8569426-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20130018187-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. (US) 2013-01-17 US disclosed
US-8268935-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
EP-1901778-A2 PREPARATION OF POLYMER CONJUGATES OF THERAPEUTIC, AGRICULTURAL, AND FOOD ADDITIVE COMPOUNDS Elan Pharmaceuticals Inc. (US) 2008-03-26 EP disclosed
US-5859050-A ADMINISTERING TO PREVENT OR TREAT A VIRAL INFECTION SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 1999-01-12 US disclosed
US-5847164-A Method for the preparation of chromanone 7 SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 1998-12-08 US disclosed
US-5840921-A Method for the preparation of aldol product 7B SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 1998-11-24 US disclosed
WO-1998038193-A1 METHOD FOR THE PREPARATION OF (+)-CALANOLIDE A AND ANALOGUES THEREOF MEDICHEM RESEARCH, INC. (US) 1998-09-03 WO disclosed
EP-0775130-A1 METHOD FOR THE PREPARATION OF (+/-)-CALANOLIDE A AND INTERMEDIATES THEREOF MEDICHEM RESEARCH, INC. (US) 1997-05-28 EP disclosed
WO-1996004263-A1 METHOD FOR THE PREPARATION OF (±)-CALANOLIDE A AND INTERMEDIATES THEREOF MEDICHEM RESEARCH, INC. (US) 1996-02-15 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-20140073788-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds MANBA, OAT, PIGO KDM4E 3039/4885ALDH1A1 1425/4885CYP3A4 2057/4885
US-20130018187-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds MANBA, OAT, PIGO KDM4E 3039/4885ALDH1A1 1425/4885CYP3A4 2057/4885

“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.