SCHEMBL1845547

SCHEMBL1845547

CN(C)N=Nc1cc([N+](=O)[O-])sc1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HCAR3 P49019 1/20 0.33
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ESR2 Q92731 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL1845544 1.00 ALDH1A1 (0.33) ALDH1A1HCAR3MITFLMNAMAPT
SCHEMBL1845392 0.87 LMNA (0.35) ALDH1A1LMNAMAPTRAB9AL3MBTL1
SCHEMBL1845394 0.87 LMNA (0.35) ALDH1A1LMNAMAPTRAB9AL3MBTL1
SCHEMBL1846707 0.85 ALDH1A1 (0.37) ALDH1A1MITFLMNAMAPTL3MBTL1
SCHEMBL1846705 0.85 ALDH1A1 (0.37) ALDH1A1MITFLMNAMAPTL3MBTL1
SCHEMBL4311290 0.73 TSHR (0.43) ALDH1A1MITFLMNAMAPTRAB9A
SCHEMBL16737121 0.72 GPR35 (0.36) ALDH1A1MITFLMNAMAPTESR2
SCHEMBL1845001 0.71 PTPRF (0.46) ALDH1A1LMNAMAPT
SCHEMBL27735366 0.70 CA1 (0.40) ALDH1A1LMNAMAPTESR2RAB9A
SCHEMBL11185663 0.69 LMNA (0.40) ALDH1A1HCAR3LMNAMAPTESR2

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
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
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 ALDH1A1 731/4885HCAR3 2834/4885MITF 8/4885

“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.