SCHEMBL1607473

SCHEMBL1607473

CC(C)C[C@@H]([C]=O)NC(=O)[C@@H]1CCC(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ HDAC3 O15379 3/20 0.35
▸ HDAC1 Q13547 3/20 0.35
▸ HDAC2 Q92769 3/20 0.35
▸ HDAC10 Q969S8 3/20 0.35
▸ HDAC11 Q96DB2 3/20 0.35
▸ HDAC8 Q9BY41 3/20 0.35
▸ HDAC6 Q9UBN7 3/20 0.35
▸ TRHR P34981 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34

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
SCHEMBL8669058 0.82 POLB (0.39) POLBSMN1; SMN2MEN1KMT2AHDAC3
SCHEMBL2190498 0.82 CNR1 (0.41) POLBSMN1; SMN2MEN1KMT2AACACB
SCHEMBL26508302 0.80 ALDH1A1 (0.45) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL9719683 0.80 ALDH1A1 (0.45) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL9719680 0.80 ALDH1A1 (0.45) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL25834350 0.80 HDAC3 (0.41) POLBHDAC3HDAC1HDAC2HDAC10
SCHEMBL19875638 0.80 ALDH1A1 (0.45) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL10359347 0.78 TRHR (0.42) POLBHDAC3HDAC1HDAC2HDAC10
SCHEMBL28864215 0.78 TRHR (0.42) POLBHDAC3HDAC1HDAC2HDAC10
SCHEMBL19359174 0.78 TRHR (0.42) POLBHDAC3HDAC1HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253882-A4 ACYLATED CYANAMIDE COMPOSITION. UNIV MINNESOTA (US) 1990-06-27 — — EP claimed
US-4870056-A DETERRENTS OF ALCOHOL ABUSE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1989-09-26 — — US claimed
EP-0253882-A1 ACYLATED CYANAMIDE COMPOSITION THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1988-01-27 — — EP claimed
WO-1987004348-A1 ACYLATED CYANAMIDE COMPOSITION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1987-07-30 — — WO claimed
US-9026372-B2 Methods for providing a system of care for a high-dose oxazaphosphorine drug regimen ACCENTIA BIOPHARMACEUTICALS, INC. (US) 2015-05-05 — — US disclosed
US-20110117050-A1 Methods for Providing a System of Care for an Oxazaphosphorine Drug Regimen ACCENTIA BIOPHARMACEUTICALS, INC. (US) 2011-05-19 — — US disclosed
US-20110097426-A1 Methods for Safe and Effective Treatment Using Oxazaphosphorine Drugs ACCENTIA BIOPHARMACEUTICALS, INC. (US) 2011-04-28 — — US disclosed
US-20110082115-A1 Methods for Providing a System of Care for an Oxazaphosphorine Drug Regimen ACCENTIA BIOPHARMACEUTICALS, INC. (US) 2011-04-07 — — US disclosed
US-4940816-A Acylated cyanamide compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1990-07-10 — — US disclosed
EP-0253882-A4 ACYLATED CYANAMIDE COMPOSITION. UNIV MINNESOTA (US) 1990-06-27 — — EP disclosed
US-4870056-A DETERRENTS OF ALCOHOL ABUSE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1989-09-26 — — US disclosed
US-4726941-A Acylated cyanamide composition for treating ethanol ingestion REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1988-02-23 — — US disclosed
EP-0253882-A1 ACYLATED CYANAMIDE COMPOSITION THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1988-01-27 — — EP disclosed
WO-1987004348-A1 ACYLATED CYANAMIDE COMPOSITION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1987-07-30 — — 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-20110117050-A1 Methods for Providing a System of Care for an Oxazaphosphorine Drug Regimen PAICS, TYMP, OTC POLB 69/4885SMN1; SMN2 37/4885MEN1 2808/4885
US-20110082115-A1 Methods for Providing a System of Care for an Oxazaphosphorine Drug Regimen PAICS, TYMP, OTC POLB 69/4885SMN1; SMN2 37/4885MEN1 2808/4885
US-20110097426-A1 Methods for Safe and Effective Treatment Using Oxazaphosphorine Drugs TYMP, PAICS, ENTPD5 POLB 174/4885SMN1; SMN2 110/4885MEN1 2040/4885

“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.

Send feedback