SCHEMBL12165535

SCHEMBL12165535

CC(C)Oc1ccccc1C(=O)c1cc(Cl)ccc1NC=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.45
MAPT P10636 3/20 0.44
CCR9 P51686 1/20 0.43
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL12653216 0.86 IRAK4 (0.45) IRAK4IDO1TDO2LMNAALDH1A1
SCHEMBL12165506 0.82 TSHR (0.52) MAPTLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL12165534 0.80 RECQL (0.60) IRAK4MAPTIDO1TDO2MAP2
SCHEMBL11630143 0.79 GABRP (0.61) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL17580571 0.78 P2RX3 (0.41) IRAK4SMN1; SMN2ALDH1A1KDM4ECYP2C19
SCHEMBL10288032 0.78 IRAK4 (0.44) IRAK4MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL7088362 0.76 IRAK4 (0.72) IRAK4IDO1TDO2LMNAALDH1A1
SCHEMBL11457524 0.75 MAPT (0.62) MAPTLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL12165544 0.74 MRGPRX1 (0.51) MAPTLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL1808043 0.72 MRGPRX1 (0.53) MAPTLMNAGAASMN1; 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 5 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

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 IRAK4 3702/4885MAPT 621/4885CCR9 4098/4885

“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.