SCHEMBL12165041

SCHEMBL12165041

CC(C)c1ccc2c(c1)C(O)(c1ccccc1)C(N)=N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ LMNA P02545 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ SCN4A P35499 1/20 0.31

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
SCHEMBL12164952 0.81 RAB9A (0.37) PDK2ALDH1A1LMNATDP1MAPT
SCHEMBL12165078 0.80 PDK2 (0.42) PDK2ALDH1A1GAALMNAMAPT
SCHEMBL12165054 0.80 ALOX5AP (0.34) PDK2EHMT2P2RX1P2RX3P2RX4
SCHEMBL12165365 0.78 GABRA1 (0.35) P2RX1P2RX3P2RX4P2RX7
SCHEMBL12164960 0.78 MEN1 (0.39) PDK2LMNAMAPTMEN1KMT2A
SCHEMBL12653484 0.78 P2RX1 (0.32) P2RX1P2RX3P2RX4P2RX7
SCHEMBL12164884 0.78 SCN9A (0.37) PDK2SMN1; SMN2KMT2AP2RX1P2RX3
SCHEMBL12164883 0.78 SCN9A (0.37) PDK2SMN1; SMN2KMT2AP2RX1P2RX3
SCHEMBL12164937 0.78 BACE1 (0.36) PDK2HTTSMN1; SMN2P2RX1P2RX3
SCHEMBL12164888 0.78 SCN9A (0.37) PDK2SMN1; SMN2KMT2AP2RX1P2RX3

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 PDK2 603/4885ALDH1A1 1340/4885HTT 2070/4885

“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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