SCHEMBL1808043

SCHEMBL1808043

CCOc1ccc(F)cc1C(=O)c1cc(Cl)ccc1NC=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 9/20 0.53
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 3/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 2/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
KCNMA1 Q12791 1/20 0.45
TSPO P30536 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
LCLAT1 Q6UWP7 1/20 0.41
ATM Q13315 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
SCHEMBL12165544 0.91 MRGPRX1 (0.51) MRGPRX1MAPTLMNAKMT2ATSHR
SCHEMBL12099189 0.85 MRGPRX1 (0.57) MRGPRX1MAPTLMNAKMT2ATSHR
SCHEMBL1809103 0.81 MRGPRX1 (0.49) MRGPRX1MAPTLMNAKMT2ATSHR
SCHEMBL11314652 0.80 TSHR (0.51) MRGPRX1MAPTLMNAKMT2ATSHR
SCHEMBL30294316 0.78 MRGPRX1 (0.56) MRGPRX1MAPTLMNAKMT2ATSHR
SCHEMBL22853109 0.78 MRGPRX1 (0.56) MRGPRX1MAPTLMNAKMT2ATSHR
SCHEMBL22853077 0.76 MRGPRX1 (0.54) MRGPRX1MAPTLMNAKMT2ATSHR
SCHEMBL30294699 0.76 MRGPRX1 (0.54) MRGPRX1MAPTLMNAKMT2ATSHR
SCHEMBL12165535 0.72 IRAK4 (0.45) MAPTLMNAGAAKCNMA1CYP1A2
SCHEMBL11287767 0.72 MRGPRX1 (0.49) MRGPRX1TSHRUSP2TSPOSMN1; SMN2

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 11 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
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-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
US-20120232063-A1 2-Aminoindole Compounds And Methods For The Treatment Of Malaria MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2012-09-13 US disclosed
EP-2493305-A1 2-AMINOINDOLE COMPOUNDS AND METHODS FOR THE TREATMENT OF MALARIA Genzyme Corporation (US) 2012-09-05 EP disclosed
WO-2011053697-A1 2-AMINOINDOLE COMPOUNDS AND METHODS FOR THE TREATMENT OF MALARIA GENZYME CORPORATION (US) 2011-05-05 WO 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 MRGPRX1 924/4885MAPT 621/4885LMNA 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.