SCHEMBL1846705

SCHEMBL1846705

COC(=O)c1sc([N+](=O)[O-])cc1/N=N/N(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
COMT P21964 1/20 0.37
LMNA P02545 4/20 0.35
SLC10A6 Q3KNW5 1/20 0.35
MAPT P10636 7/20 0.34
HTT P42858 4/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 6/20 0.33
MEN1 O00255 4/20 0.33
PARP14 Q460N5 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MITF O75030 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL1846707 1.00 ALDH1A1 (0.37) ALDH1A1COMTLMNASLC10A6MAPT
SCHEMBL1845547 0.85 ALDH1A1 (0.33) ALDH1A1LMNAMAPTL3MBTL1MITF
SCHEMBL1845544 0.85 ALDH1A1 (0.33) ALDH1A1LMNAMAPTL3MBTL1MITF
SCHEMBL1845392 0.84 LMNA (0.35) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL1845394 0.84 LMNA (0.35) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL13545967 0.75 ALDH1A1 (0.45) ALDH1A1COMTLMNAMAPTHTT
SCHEMBL2978000 0.74 COMT (0.49) ALDH1A1COMTLMNASLC10A6MAPT
SCHEMBL1846041 0.73 MAPT (0.54) ALDH1A1LMNAMAPTHTTKDM4E
SCHEMBL1846039 0.73 MAPT (0.54) ALDH1A1LMNAMAPTHTTKDM4E
Hydrochloric Acid SCHEMBL10731665 0.72 MAPT (0.47) ALDH1A1COMTLMNASLC10A6MAPT

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 ALDH1A1 731/4885COMT 705/4885LMNA 1600/4885

“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.