SCHEMBL1809103

SCHEMBL1809103

CCOc1ccc(F)cc1C(=O)c1cc(Cl)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 3/20 0.49
RECQL P46063 1/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
FADS1 O60427 1/20 0.46
USP2 O75604 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
KCNMA1 Q12791 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KEAP1 Q14145 1/20 0.43
NOS2 P35228 2/20 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
SCHEMBL12165545 0.90 RECQL (0.48) MRGPRX1RECQLMAPTLMNAFADS1
SCHEMBL6953541 0.87 RECQL (0.60) MRGPRX1RECQLMAPTLMNAUSP2
SCHEMBL11314652 0.84 TSHR (0.51) MRGPRX1MAPTLMNAUSP2MEN1
SCHEMBL12099189 0.82 MRGPRX1 (0.57) MRGPRX1MAPTLMNAUSP2MEN1
SCHEMBL1808043 0.81 MRGPRX1 (0.53) MRGPRX1MAPTLMNAUSP2MEN1
SCHEMBL2705343 0.80 RECQL (0.59) RECQLFADS1KMT2ASMN1; SMN2KEAP1
SCHEMBL4124299 0.77 RECQL (0.50) RECQLMAPTLMNAUSP2MEN1
SCHEMBL5528744 0.76 RECQL (0.60) RECQLMAPTLMNAFADS1USP2
SCHEMBL2704610 0.76 RECQL (0.58) RECQLFADS1NPC1RAB9AKEAP1
SCHEMBL11287767 0.75 MRGPRX1 (0.49) MRGPRX1USP2TSHRSMN1; SMN2NPC1

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 924/4885RECQL 957/4885MAPT 621/4885

“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.