SCHEMBL12165365

SCHEMBL12165365

NC1=Nc2ccc(I)cc2C1(O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ P2RX1 P51575 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ P2RX4 Q99571 1/20 0.32
▸ P2RX7 Q99572 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
SCHEMBL12165054 0.83 ALOX5AP (0.34) P2RX1P2RX3P2RX4P2RX7
SCHEMBL12164960 0.82 MEN1 (0.39) GABRA1GABRB2P2RX1P2RX3P2RX4
SCHEMBL12653484 0.82 P2RX1 (0.32) P2RX1P2RX3P2RX4P2RX7
SCHEMBL12164883 0.82 SCN9A (0.37) P2RX1P2RX3P2RX4P2RX7
SCHEMBL12164952 0.82 RAB9A (0.37) P2RX1P2RX3P2RX4P2RX7
SCHEMBL12164884 0.82 SCN9A (0.37) P2RX1P2RX3P2RX4P2RX7
SCHEMBL12165112 0.78 MAOB (0.39) P2RX1P2RX3P2RX4P2RX7
SCHEMBL12165041 0.78 PDK2 (0.39) P2RX1P2RX3P2RX4P2RX7
SCHEMBL12164970 0.78 EHMT2 (0.53) —
SCHEMBL12165105 0.78 PDK2 (0.39) —

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 GABRA1 2340/4885GABRB2 1977/4885P2RX1 3471/4885

“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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