SCHEMBL12165192

SCHEMBL12165192

COc1ccc2c(c1)C(O)(c1ccccc1OC)C(N)=N2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 4/20 0.51
▸ KMT2A Q03164 3/20 0.41
▸ PDK2 Q15119 3/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ SIGMAR1 Q99720 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OPRL1 P41146 1/20 0.34

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
SCHEMBL12165173 0.87 ALDH1A1 (0.45) EHMT2KMT2APDK2SIGMAR1ALDH1A1
SCHEMBL12165070 0.86 SCN9A (0.45) EHMT2KMT2ASIGMAR1SCN9A
SCHEMBL12165178 0.86 KMT2A (0.40) EHMT2KMT2APDK2MEN1GAA
SCHEMBL12164970 0.84 EHMT2 (0.53) EHMT2KMT2APDK2MEN1GAA
SCHEMBL12165098 0.81 EHMT2 (0.45) EHMT2KMT2AMEN1GAAALDH1A1
SCHEMBL12165053 0.81 EHMT2 (0.51) EHMT2KMT2APDK2MEN1GAA
SCHEMBL12165292 0.79 EHMT2 (0.43) EHMT2KMT2APDK2MEN1GAA
SCHEMBL12165426 0.78 EHMT2 (0.48) EHMT2KMT2APDK2MEN1GAA
SCHEMBL12165256 0.78 EHMT2 (0.46) EHMT2KMT2AALDH1A1CYP1A2
SCHEMBL12165240 0.77 EHMT2 (0.44) EHMT2KMT2APDK2MEN1GAA

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-8980926-B2 2-aminoindole compounds and methods for the treatment of malaria GENZYME CORPORATION (US) 2015-03-17 — — US disclosed
US-8980926-B2 2-aminoindole compounds and methods for the treatment of malaria GENZYME CORPORATION (US) 2015-03-17 — — US disclosed
US-20120232063-A1 2-Aminoindole Compounds And Methods For The Treatment Of Malaria MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2012-09-13 — — US disclosed
US-20120232063-A1 2-Aminoindole Compounds And Methods For The Treatment Of Malaria MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2012-09-13 — — US disclosed
WO-2011053697-A1 2-AMINOINDOLE COMPOUNDS AND METHODS FOR THE TREATMENT OF MALARIA GENZYME CORPORATION (US) 2011-05-05 — — 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-20120232063-A1 2-Aminoindole Compounds And Methods For The Treatment Of Malaria PNMT, AADAT, INMT EHMT2 247/4885KMT2A 345/4885PDK2 603/4885

“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.

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