SCHEMBL796427

SCHEMBL796427

COc1cccnc1C(=O)Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.47
PLAU P00749 1/20 0.45
CTSA P10619 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC18A3 Q16572 1/20 0.42
GFER P55789 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
BRD4 O60885 1/20 0.41
BRPF1 P55201 1/20 0.41
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL287024 0.83 KDM4E (0.55) NFE2L2PLAUCTSAL3MBTL1NPC1
SCHEMBL5928881 0.83 NFE2L2 (0.48) NFE2L2PLAUCTSAL3MBTL1NPC1
Hydrochloric Acid SCHEMBL8882233 0.81 KDM4E (0.53) NFE2L2PLAUCTSAL3MBTL1NPC1
SCHEMBL29503858 0.81 PLAU (0.53) NFE2L2PLAUCTSAL3MBTL1NPC1
SCHEMBL312146 0.81 L3MBTL1 (0.60) NFE2L2PLAUCTSAL3MBTL1NPC1
SCHEMBL2268684 0.81 KDM4E (0.53) NFE2L2PLAUCTSAL3MBTL1NPC1
SCHEMBL1101140 0.81 PLAU (0.53) NFE2L2PLAUCTSAL3MBTL1NPC1
Hydrochloric Acid SCHEMBL11097642 0.80 L3MBTL1 (0.58) NFE2L2PLAUCTSAL3MBTL1NPC1
SCHEMBL796222 0.80 L3MBTL1 (0.46) NFE2L2PLAUCTSAL3MBTL1NPC1
Alcohol SCHEMBL28974251 0.79 KDM4E (0.50) NFE2L2PLAUCTSAL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108864053-B Tubulin inhibitor and application thereof in antitumor drugs 浙江药苑生物科技有限公司 2020-12-01 CN disclosed
CN-108675992-B Antineoplastic medicine acting on tubulin 浙江药苑生物科技有限公司 2020-11-27 CN disclosed
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
CN-103221408-A Triazine-oxadiazole compounds NOVARTIS AG 2013-07-24 CN disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 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 (2 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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NFE2L2 561/4885PLAU 4448/4885CTSA 4474/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NFE2L2 561/4885PLAU 4448/4885CTSA 4474/4885

“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.