SCHEMBL16320760

SCHEMBL16320760

O=C1Cc2ccc(Cl)c(Cl)c2N1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.61
CMA1 P23946 2/20 0.47
CES1 P23141 1/20 0.44
TDP2 O95551 8/20 0.41
PDK2 Q15119 1/20 0.39
GRM5 P41594 1/20 0.38
EIF2AK2 P19525 1/20 0.38
GRIA1 P42261 2/20 0.37
CACNG8 Q8WXS5 2/20 0.37
NOTUM Q6P988 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37
MAP3K14 Q99558 1/20 0.37
CACNG2 Q9Y698 1/20 0.36

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
SCHEMBL223361 0.81 AHR (0.58) AHRCMA1TDP2PDK2GRM5
SCHEMBL31116942 0.81 AHR (0.53) AHRCMA1TDP2PDK2GRM5
SCHEMBL18554774 0.81 AHR (0.53) AHRCMA1TDP2PDK2GRM5
SCHEMBL18289475 0.80 AHR (0.59) AHRCMA1TDP2PDK2EIF2AK2
SCHEMBL25424110 0.77 CES1 (0.55) AHRCMA1CES1TDP2
SCHEMBL30415778 0.77 CES1 (0.55) AHRCMA1CES1TDP2
SCHEMBL1162926 0.76 AHR (1.00) AHRCMA1CES1TDP2PDK2
SCHEMBL9837197 0.72 AHR (0.57) AHRCMA1CES1
SCHEMBL31057841 0.71 AHR (0.43) AHRCMA1TDP2PDK2GRM5
SCHEMBL3284838 0.71 AHR (0.86) AHRCES1TDP2PDK2GRM5

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
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY CONNEXIOS LIFE SCIENCES PVT. LIMITED (IN) 2016-05-12 US disclosed
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY CONNEXIOS LIFE SCIENCES PVT. LIMITED (IN) 2016-05-12 US disclosed
EP-3010905-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY Boehringer Ingelheim International GmbH (DE) 2016-04-27 EP disclosed
WO-2014202580-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 WO disclosed
WO-2014202580-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 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-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY AK2, PRKAA2, PRKAA1 AHR 1232/4885CMA1 4653/4885CES1 1878/4885

“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.