SCHEMBL12165388

SCHEMBL12165388

COc1ccc2c(c1)C(O)(c1cc(Cl)ccc1C1CC1)C(N)=N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 1/20 0.46
▸ CTSD P07339 2/20 0.39
▸ NOS3 P29474 3/20 0.38
▸ NOS1 P29475 3/20 0.38
▸ NOS2 P35228 3/20 0.38
▸ BACE1 P56817 2/20 0.36
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33
▸ DRD1 P21728 2/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD4 P21917 1/20 0.33

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
SCHEMBL12165326 1.00 EHMT2 (0.46) EHMT2CTSDNOS3NOS1NOS2
SCHEMBL12165408 0.85 NOS3 (0.40) NOS3NOS1NOS2TAAR1
SCHEMBL12165311 0.83 NOS3 (0.40) NOS3NOS1NOS2TAAR1
SCHEMBL12165251 0.83 EHMT2 (0.45) EHMT2CTSDNOS3NOS1NOS2
SCHEMBL12653485 0.83 EHMT2 (0.51) EHMT2CTSDBACE1SLC6A2SLC6A4
SCHEMBL12165315 0.82 NOS3 (0.40) CTSDNOS3NOS1NOS2BACE1
SCHEMBL12165239 0.81 EHMT2 (0.46) EHMT2CTSDNOS3NOS1NOS2
SCHEMBL12165098 0.81 EHMT2 (0.45) EHMT2CTSDSLC6A2SLC6A4SLC6A3
SCHEMBL12165271 0.79 EHMT2 (0.44) EHMT2CTSDBACE1SLC6A2SLC6A4
SCHEMBL12165073 0.79 EHMT2 (0.45) EHMT2CTSDBACE1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493305-B1 2-AMINOINDOLE COMPOUNDS AND METHODS FOR THE TREATMENT OF MALARIA GENZYME CORP (US) 2015-03-25 — — EP disclosed
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 247/4885CTSD 3223/4885NOS3 1338/4885

“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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