SCHEMBL1844332

SCHEMBL1844332

COC(=O)c1sc(C(=O)OC)c([N+](=O)[O-])c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
COMT P21964 1/20 0.44
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.34
TDP2 O95551 1/20 0.33

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
SCHEMBL1846609 0.81 COMT (0.51) SMN1; SMN2MAPTHTTCOMTKMT2A
SCHEMBL6836069 0.79 KMT2A (0.54) SMN1; SMN2MAPTKMT2ATSHRHSD17B10
SCHEMBL8875531 0.74 SMN1; SMN2 (0.82) SMN1; SMN2MAPTHTTCOMTKMT2A
SCHEMBL10714869 0.72 MAPT (0.50) SMN1; SMN2MAPTHTTCOMTKMT2A
SCHEMBL9368306 0.72 ALDH1A1 (0.51) MAPTHTTKMT2ATSHRHSD17B10
SCHEMBL28213916 0.72 MAPT (0.47) SMN1; SMN2MAPTKMT2ATSHRHSD17B10
SCHEMBL1848132 0.71 KDM4E (0.49) SMN1; SMN2MAPTHTTKMT2ATSHR
SCHEMBL23485294 0.70 SMN1; SMN2 (0.46) SMN1; SMN2MAPTHTTCOMTKMT2A
SCHEMBL11794818 0.69 MAPT (0.48) SMN1; SMN2MAPTHTTKMT2AHSD17B10
SCHEMBL29997803 0.69 COMT (0.50) SMN1; SMN2MAPTHTTCOMTKMT2A

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
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
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

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 SMN1; SMN2 640/4885MAPT 20/4885HTT 2242/4885

“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.