SCHEMBL12164887

SCHEMBL12164887

NC1=Nc2ccccc2C1(O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 1/20 0.40
▸ P2RX3 P56373 1/20 0.40
▸ P2RX4 Q99571 1/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.37
▸ SCN9A Q15858 1/20 0.33
▸ PDK2 Q15119 4/20 0.31
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ NOS2 P35228 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL12164892 0.82 EHMT2 (0.43) SCN9APDK2SLC6A2SLC6A4SLC6A3
SCHEMBL12164929 0.82 KDM1A (0.37) ADORA3PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL12164898 0.82 KIF11 (0.34) ADORA3
SCHEMBL12165054 0.82 ALOX5AP (0.34) P2RX1P2RX3P2RX4P2RX7PDK2
SCHEMBL12164884 0.80 SCN9A (0.37) P2RX1P2RX3P2RX4P2RX7SCN9A
SCHEMBL12164925 0.80 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL12164960 0.80 MEN1 (0.39) P2RX1P2RX3P2RX4P2RX7PDK2
SCHEMBL12164952 0.80 RAB9A (0.37) P2RX1P2RX3P2RX4P2RX7PDK2
SCHEMBL12164936 0.80 MAP3K14 (0.40) P2RX1P2RX3P2RX4P2RX7SCN9A
SCHEMBL12165365 0.80 GABRA1 (0.35) P2RX1P2RX3P2RX4P2RX7

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 P2RX1 3471/4885P2RX3 3357/4885P2RX4 2718/4885

“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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