SCHEMBL13624751

SCHEMBL13624751

CCNCCCNC/C=C\CNCCCNC(=O)c1ccccc1C=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
TSHR P16473 2/20 0.49
KDM1A O60341 5/20 0.46
HPGD P15428 6/20 0.44
NAAA Q02083 1/20 0.43
HCRTR1 O43613 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NLRP1 Q9C000 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL18074482 0.85 HTT (0.53) HTTTSHRHPGDNAAAHCRTR1
SCHEMBL2665746 0.82 TSHR (0.73) HTTTSHRHPGDNAAAHCRTR1
SCHEMBL10117106 0.82 KMT2A (0.49) HTTTSHRHPGDNAAAHCRTR1
SCHEMBL8174236 0.80 NAAA (0.67) HTTTSHRHPGDNAAAHCRTR1
SCHEMBL24696326 0.79 TSHR (0.57) HTTTSHRHPGDNAAAHCRTR1
SCHEMBL13624736 0.78 TSHR (0.41) HTTTSHRHPGDNAAAHCRTR1
SCHEMBL14136411 0.76 HTT (0.50) HTTTSHRHPGDNAAAHCRTR1
SCHEMBL4760433 0.76 HTT (0.50) HTTTSHRHPGDNAAAHCRTR1
SCHEMBL7540866 0.76 HTT (0.50) HTTTSHRHPGDNAAAHCRTR1
SCHEMBL27503407 0.76 HTT (0.50) HTTTSHRHPGDNAAAHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES PROGEN PHARMACEUTICALS, INC. 2009-11-05 US 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 (1 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-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, CTSL, CTSV HTT 2804/4885TSHR 4347/4885KDM1A 3178/4885

“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.