SCHEMBL1845199

SCHEMBL1845199

COc1c(C(N)=O)sc(C(N)=O)c1N=NN(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
LMNA P02545 2/20 0.34
PAX8 Q06710 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MMP9 P14780 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
IKBKB O14920 1/20 0.31
PRNP P04156 1/20 0.30
MAPK1 P28482 1/20 0.30
PPARG P37231 1/20 0.30
HTT P42858 1/20 0.30
MAPK10 P53779 1/20 0.30
NCOA2 Q15596 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
CDC7 O00311 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
SCHEMBL1845195 1.00 TSHR (0.34) TSHRLMNAPAX8KDM4EALDH1A1
SCHEMBL1852706 0.81 MAPT (0.37) TSHRLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1852704 0.81 MAPT (0.37) TSHRLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1844495 0.67 LMNA (0.38) TSHRLMNAPAX8KDM4EALDH1A1
SCHEMBL27977195 0.67 GAA (0.40) TSHRLMNAPAX8KDM4EALDH1A1
SCHEMBL1844496 0.67 LMNA (0.38) TSHRLMNAPAX8KDM4EALDH1A1
SCHEMBL1845799 0.62 BCAT2 (0.41) TSHRLMNAPAX8KDM4EALDH1A1
SCHEMBL1845798 0.62 BCAT2 (0.41) TSHRLMNAPAX8KDM4EALDH1A1
SCHEMBL1844680 0.58 KDM4E (0.38) TSHRLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1844679 0.58 KDM4E (0.38) TSHRLMNAKDM4EALDH1A1SMN1; SMN2

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 13 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
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
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
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
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
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 TSHR 2319/4885LMNA 1600/4885PAX8 1097/4885

“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.