SCHEMBL12165506

SCHEMBL12165506

O=CNc1ccc(Cl)cc1C(=O)c1ccccc1Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
SERPINE1 P05121 1/20 0.46
MAPT P10636 3/20 0.45
CCR2 P41597 3/20 0.45
ALOX12 P18054 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
P2RY1 P47900 1/20 0.44
CTNNB1 P35222 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL12165535 0.82 IRAK4 (0.45) LMNASMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL11630143 0.80 GABRP (0.61) LMNASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL1128732 0.80 TSHR (0.66) TSHRL3MBTL1LMNANPSR1SMN1; SMN2
SCHEMBL12165498 0.79 RECQL (0.61) L3MBTL1LMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL11457524 0.79 MAPT (0.62) LMNANPSR1SMN1; SMN2ALDH1A1GAA
SCHEMBL466194 0.75 CTNNB1 (0.71) TSHRL3MBTL1LMNANPSR1SMN1; SMN2
SCHEMBL12165496 0.74 HPSE (0.52) L3MBTL1LMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL11866382 0.73 MAPT (0.55) LMNANPSR1SMN1; SMN2ALDH1A1GAA
SCHEMBL12165544 0.73 MRGPRX1 (0.51) TSHRLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL6059424 0.73 NR4A1 (0.60) L3MBTL1LMNANPSR1SMN1; SMN2ALDH1A1

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 TSHR 4012/4885L3MBTL1 2344/4885LMNA 2562/4885

“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.