SCHEMBL1845952

SCHEMBL1845952

CN(C)N=Nc1ccsc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.41
LMNA P02545 1/20 0.41
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
ABCC1 P33527 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 4/20 0.36
RAB9A P51151 4/20 0.36
MEN1 O00255 3/20 0.36
NPC1 O15118 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
DHODH Q02127 1/20 0.36
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL1845950 1.00 AXL (0.41) AXLLMNAPTPN2PTPN1ABCC1
SCHEMBL1845798 0.84 BCAT2 (0.41) LMNAKMT2ARAB9AMEN1NPC1
SCHEMBL1845799 0.84 BCAT2 (0.41) LMNAKMT2ARAB9AMEN1NPC1
SCHEMBL1847139 0.81 KMT2A (0.48) LMNANPSR1KMT2ARAB9AMEN1
SCHEMBL12083533 0.81 GAA (0.38) LMNANPSR1KMT2ARAB9AMEN1
SCHEMBL1847138 0.81 KMT2A (0.48) LMNANPSR1KMT2ARAB9AMEN1
SCHEMBL15936362 0.78 NPC1 (0.35) RAB9ANPC1MAPT
SCHEMBL27977502 0.76 GPR35 (0.40) AXLRAB9ANPC1L3MBTL1PKM
SCHEMBL12083528 0.76 TSHR (0.37) LMNAKMT2ARAB9ANPC1L3MBTL1
SCHEMBL1847786 0.75 MAOB (0.37) KMT2ARAB9AMEN1NPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102149703-B Anti-cancer drugs and uses relating thereto for metastatic malignant melanoma and other cancers LAILA NUTRACEUTICALS 2014-09-10 CN claimed
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 claimed
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 claimed
CN-102149703-A Anti-cancer drugs and uses relating thereto for metastatic malignant melanoma and other cancers LAILA NUTRACEUTICALS 2011-08-10 CN claimed
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 claimed
US-20100068178-A1 ANTI-CANCER DRUGS AND USES RELATING THERETO FOR METASTATIC MALIGNANT MELANOMA AND OTHER CANCERS LAILA NUTRACEUTICALS (IN) 2010-03-18 US claimed
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 claimed
CN-102149703-B Anti-cancer drugs and uses relating thereto for metastatic malignant melanoma and other cancers LAILA NUTRACEUTICALS 2014-09-10 CN disclosed
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
CN-102149703-A Anti-cancer drugs and uses relating thereto for metastatic malignant melanoma and other cancers LAILA NUTRACEUTICALS 2011-08-10 CN 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 AXL 443/4885LMNA 1600/4885PTPN2 1719/4885

“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.