SCHEMBL12165389

SCHEMBL12165389

Cc1ccc2c(c1)C(O)(c1ccccc1C1CC1)C(N)=N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 4/20 0.36
▸ NOS1 P29475 4/20 0.36
▸ NOS2 P35228 4/20 0.36
▸ CASP3 P42574 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDK2 Q15119 3/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 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
SCHEMBL12165315 0.85 NOS3 (0.40) NOS3NOS1NOS2PDK2CYP2C19
SCHEMBL12165408 0.84 NOS3 (0.40) NOS3NOS1NOS2RAB9AMAPT
SCHEMBL12164952 0.77 RAB9A (0.37) CASP3RAB9AATMNPSR1SENP8
SCHEMBL12165391 0.77 KMT2A (0.38) CASP3RAB9AATMNPSR1SENP8
SCHEMBL12165173 0.77 ALDH1A1 (0.45) CASP3RAB9AATMNPSR1SENP8
SCHEMBL12165425 0.72 PDK2 (0.32) CASP3RAB9AATMNPSR1SENP8
SCHEMBL12165218 0.71 HDAC4 (0.35) CASP3RAB9AATMNPSR1SENP8
SCHEMBL12165430 0.71 ACHE (0.32) CASP3RAB9AATMNPSR1SENP8
SCHEMBL12165388 0.70 EHMT2 (0.46) NOS3NOS1NOS2NPSR1
SCHEMBL12165326 0.70 EHMT2 (0.46) NOS3NOS1NOS2NPSR1

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 4 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

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 NOS3 1338/4885NOS1 2105/4885NOS2 743/4885

“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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