SCHEMBL1852706

SCHEMBL1852706

COC(=O)c1sc(C(=O)OC)c(OC)c1N=NN(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
KMT2A Q03164 4/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
MAPK10 P53779 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL1852704 1.00 MAPT (0.37) MAPTKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL1845199 0.81 TSHR (0.34) TSHRALDH1A1KDM4ELMNAMAPK10
SCHEMBL1845195 0.81 TSHR (0.34) TSHRALDH1A1KDM4ELMNAMAPK10
SCHEMBL6836069 0.75 KMT2A (0.54) MAPTKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL1844680 0.71 KDM4E (0.38) MAPTKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL1844679 0.71 KDM4E (0.38) MAPTKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL28213916 0.69 MAPT (0.47) MAPTKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL9368306 0.69 ALDH1A1 (0.51) MAPTKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL1848132 0.67 KDM4E (0.49) MAPTKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL1847138 0.67 KMT2A (0.48) MAPTKMT2AALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324006-B1 Anti-cancer drugs and uses relating thereto for metastatic malignant melanoma and other cancers KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD (IN) 2014-08-13 EP disclosed
US-8258119-B2 Anti-cancer drugs and uses relating thereto for metastatic malignant melanoma and other cancers Kasina Laila Innova Pharmaceuticals (IN) 2012-09-04 US disclosed
EP-2324006-A2 ANTI-CANCER DRUGS AND USES RELATING THERETO FOR METASTATIC MALIGNANT MELANOMA AND OTHER CANCERS Kasina Laila Innova Pharmaceuticals Private Ltd. (IN) 2011-05-25 EP disclosed
US-20100068178-A1 ANTI-CANCER DRUGS AND USES RELATING THERETO FOR METASTATIC MALIGNANT MELANOMA AND OTHER CANCERS LAILA NUTRACEUTICALS (IN) 2010-03-18 US disclosed
WO-2010029577-A2 ANTI-CANCER DRUGS AND USES RELATING THERETO FOR METASTATIC MALIGNANT MELANOMA AND OTHER CANCERS GOKARAJU GANGA RAJU (IN) 2010-03-18 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 (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-20100068178-A1 ANTI-CANCER DRUGS AND USES RELATING THERETO FOR METASTATIC MALIGNANT MELANOMA AND OTHER CANCERS BRAF, NRAS, TP53 MAPT 20/4885KMT2A 2637/4885TSHR 2319/4885

“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.