SCHEMBL65609

SCHEMBL65609

CC(C)(C)c1nc[nH]c1C=O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDPK1 O15530 1/20 0.32

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
SCHEMBL66213 0.84 HPGD (0.38) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13413096 0.79 HPGD (0.44) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4960890 0.79 HPGD (0.32) HPGD
SCHEMBL860279 0.71
SCHEMBL6762757 0.70 HPGD (0.52) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1509437 0.69
SCHEMBL9582765 0.69 HPGD (0.50) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL67583 0.68 RAF1 (0.46) HPGDCYP1A2CYP2C9CYP2C19PDPK1
SCHEMBL21719654 0.67 HPGD (0.48) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21719827 0.67 HPGD (0.48) HPGDCYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618292-B2 Analogs of dehydrophenylahistins and their therapeutic use BEYONDSPRING PHARMACEUTICALS, INC. (US) 2013-12-31 US disclosed
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE NEREUS PHARMACEUTICALS, INC. (US) 2012-11-01 US disclosed
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE NEREUS PHARMACEUTICALS, INC. (US) 2012-11-01 US disclosed
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE NEREUS PHARMACEUTICALS, INC. (US) 2012-11-01 US disclosed
US-8247552-B2 Analogs of dehydrophenylahistins and their therapeutic use NEREUS PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-8247552-B2 Analogs of dehydrophenylahistins and their therapeutic use NEREUS PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-8247552-B2 Analogs of dehydrophenylahistins and their therapeutic use NEREUS PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-8129527-B2 cancer and non-cancer diseases associated with vascular proliferation; mitoxantrone resistant, taxol resistant cancers NEREUS PHARMACUTICALS, INC. (US) 2012-03-06 US disclosed
US-8129527-B2 cancer and non-cancer diseases associated with vascular proliferation; mitoxantrone resistant, taxol resistant cancers NEREUS PHARMACUTICALS, INC. (US) 2012-03-06 US disclosed
US-8129527-B2 cancer and non-cancer diseases associated with vascular proliferation; mitoxantrone resistant, taxol resistant cancers NEREUS PHARMACUTICALS, INC. (US) 2012-03-06 US disclosed
EP-1711487-A1 DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF AND THE SYNTHESIS OF DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF Nereus Pharmaceuticals, Inc. (US) 2006-10-18 EP disclosed
US-20060223823-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. 2006-10-05 US disclosed
US-20060223822-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof BEYONDSPRING PHARMACEUTICALS, INC. 2006-10-05 US disclosed
US-20060217553-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. 2006-09-28 US disclosed
US-7064201-B2 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. (US) 2006-06-20 US disclosed
US-20050197344-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof BEYONDSPRING PHARMACEUTICALS, INC. 2005-09-08 US disclosed
WO-2005077940-A1 DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF AND THE SYNTHESIS OF DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF NEREUS PHARMACEUTICALS, INC. (US) 2005-08-25 WO disclosed
EP-1529044-A2 DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF AND THE SYNTHESIS OF DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF Nereus Pharmaceuticals, Inc. (US) 2005-05-11 EP disclosed
US-20050090667-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof BEYONDSPRING PHARMACEUTICALS, INC. 2005-04-28 US disclosed
WO-2004054498-A2 DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF AND THE SYNTHESIS OF DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF NEREUS PHARMACEUTICALS, INC. (US) 2004-07-01 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 (6 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-20060223822-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof TPD52L2, DHPS, DCXR HPGD 327/4885CYP1A2 464/4885CYP2D6 165/4885
US-20060223823-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof TPD52L2, DHPS, DCXR HPGD 327/4885CYP1A2 464/4885CYP2D6 165/4885
US-20060217553-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof TPD52L2, DHPS, DCXR HPGD 327/4885CYP1A2 464/4885CYP2D6 165/4885
US-20050090667-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof TPD52L2, DHPS, DCXR HPGD 327/4885CYP1A2 464/4885CYP2D6 165/4885
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE MKI67, HPGDS, HCCS HPGD 31/4885CYP1A2 2042/4885CYP2D6 1354/4885
US-20050197344-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof DHFR, DHPS, QDPR HPGD 178/4885CYP1A2 951/4885CYP2D6 529/4885

“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.