SCHEMBL12165353

SCHEMBL12165353

Cc1ccc2c(c1)C(O)(C(C)C)C(N)=N2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALOX15 P16050 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HTR5A P47898 2/20 0.32

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
SCHEMBL12165373 0.82 NOS3 (0.36) EHMT2TDP1SMN1; SMN2NOS3NOS1
SCHEMBL12164952 0.76 RAB9A (0.37) EHMT2TDP1CASP3RAB9AATM
SCHEMBL12165352 0.72 NOS3 (0.33) TDP1SMN1; SMN2NOS3NOS1NOS2
SCHEMBL22373385 0.71 PDK2 (0.47) TDP1CASP3RAB9AATMNPSR1
SCHEMBL12165188 0.70 RAB9A (0.37) TDP1CASP3RAB9AATMNPSR1
SCHEMBL12165173 0.68 ALDH1A1 (0.45) EHMT2TDP1CASP3RAB9AATM
SCHEMBL12165391 0.68 KMT2A (0.38) TDP1CASP3RAB9AATMNPSR1
SCHEMBL12165389 0.66 NOS3 (0.36) TDP1CASP3RAB9AATMNPSR1
SCHEMBL12165102 0.66 NOS3 (0.34) RAB9ASMN1; SMN2NOS3NOS1NOS2
SCHEMBL12165425 0.66 PDK2 (0.32) TDP1CASP3RAB9AATMNPSR1

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 247/4885TDP1 3238/4885CASP3 572/4885

“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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