SCHEMBL3298684

SCHEMBL3298684

CCCCCCCCNC(=O)Nc1ncnc2nc[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
HTT P42858 1/20 0.54
AURKA O14965 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
EPHX1 P07099 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.48
BRAF P15056 1/20 0.47

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
SCHEMBL19465092 0.85 BRD4 (0.49) BRD4NPC1RAB9AHTTAURKA
SCHEMBL19466078 0.84 NPC1 (0.54) BRD4NPC1RAB9AHTTHDAC1
SCHEMBL7052324 0.82 HDAC1 (0.61) BRD4NPC1RAB9AHTTAURKA
SCHEMBL5192969 0.82 HDAC1 (0.61) BRD4NPC1RAB9AHTTAURKA
SCHEMBL3298679 0.81 EPHX1 (0.52) HTTHDAC1HDAC2EPHX1ALDH1A1
SCHEMBL5177317 0.80 HTT (0.78) NPC1RAB9AHTTAURKAHDAC1
SCHEMBL5066429 0.80 HTT (0.78) NPC1RAB9AHTTAURKAHDAC1
SCHEMBL28860002 0.80 HTT (0.78) NPC1RAB9AHTTAURKAHDAC1
SCHEMBL3806903 0.79 HTT (0.80) NPC1RAB9AHTTHDAC1HDAC2
SCHEMBL11679062 0.78 BRD4 (0.58) BRD4NPC1RAB9AHTTSMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355825-A2 Viral treatment system Prendergast, Patrick T. (IE) 1990-02-28 EP claimed
US-20180311237-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2018-11-01 US disclosed
US-20150031701-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2015-01-29 US disclosed
US-20130259930-A1 Compositions and Methods for Preventing and Treating Mucositis and Weight Loss CASCADE ESTATE LTD. (MU) 2013-10-03 US disclosed
US-20120196825-A1 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM SUPPORTIVE THERAPEUTICS AG (CH) 2012-08-02 US disclosed
US-20100092547-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2010-04-15 US disclosed
US-20090156546-A1 Compositions and methods for modulating the immune system SUPPORTIVE THERAPEUTICS AG (CH) 2009-06-18 US disclosed
EP-2026810-A2 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM Prendergast, Patrick T. (AU) 2009-02-25 EP disclosed
WO-2007131973-A2 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM PRENDERGAST PATRICK T (AU) 2007-11-22 WO disclosed
WO-1998047516-A1 COMBINATION THERAPY UTILISING 17-KETOSTEROIDS AND INTERLEUKIN INHIBITORS, OR INTERLEUKIN-10 POTIONALLY WITH INTERLEUKIN INHIBITORS PRENDERGAST PATRICK T (IE) 1998-10-29 WO disclosed
EP-0462621-A2 Use of particular compounds for manufacture of pharmaceutical formulations for treatment against various parasites, mycoplasmas, other indications and other infections Prendergast, Patrick Thomas (IE) 1991-12-27 EP disclosed
EP-0355825-A2 Viral treatment system Prendergast, Patrick T. (IE) 1990-02-28 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 (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-20180311237-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS SI, MTPN, MUC1 BRD4 2629/4885NPC1 1800/4885RAB9A 3818/4885
US-20100092547-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS MTAP, TPMT, MUC1 BRD4 1759/4885NPC1 3399/4885RAB9A 3970/4885
US-20150031701-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS SI, MTPN, MUC1 BRD4 2629/4885NPC1 1800/4885RAB9A 3818/4885
US-20130259930-A1 Compositions and Methods for Preventing and Treating Mucositis and Weight Loss SI, MTPN, MUC1 BRD4 2629/4885NPC1 1800/4885RAB9A 3818/4885
US-20090156546-A1 Compositions and methods for modulating the immune system MRE11, XPA, MPL BRD4 2642/4885NPC1 2651/4885RAB9A 3636/4885
US-20120196825-A1 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM MRE11, XPA, MPL BRD4 2642/4885NPC1 2651/4885RAB9A 3636/4885

“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.