SCHEMBL1844679

SCHEMBL1844679

COC(=O)c1scc(Br)c1/N=N/N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 4/20 0.36
CYP1A2 P05177 3/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 2/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PPARG P37231 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
PTPN1 P18031 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
MAPK10 P53779 2/20 0.34
CYP3A4 P08684 2/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL1844680 1.00 KDM4E (0.38) KDM4EPOLBKMT2ACYP1A2MEN1
SCHEMBL1844495 0.81 LMNA (0.38) KDM4EPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL1844496 0.81 LMNA (0.38) KDM4EPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL7235111 0.78 ALDH1A1 (0.43) KDM4EPOLBKMT2AMEN1MAPT
SCHEMBL7235114 0.78 ALDH1A1 (0.43) KDM4EPOLBKMT2AMEN1MAPT
SCHEMBL1847138 0.72 KMT2A (0.48) KDM4EKMT2ACYP1A2MEN1MAPT
SCHEMBL1847139 0.72 KMT2A (0.48) KDM4EKMT2ACYP1A2MEN1MAPT
SCHEMBL1852706 0.71 MAPT (0.37) KDM4EPOLBKMT2ACYP1A2MEN1
SCHEMBL1852704 0.71 MAPT (0.37) KDM4EPOLBKMT2ACYP1A2MEN1
SCHEMBL1760863 0.70 MAPT (0.43) KDM4EPOLBKMT2ACYP1A2MAPT

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 KDM4E 1153/4885POLB 1250/4885KMT2A 2637/4885

“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.