SCHEMBL12165544

SCHEMBL12165544

CCOc1cc(F)ccc1C(=O)c1cc(Cl)ccc1NC=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 9/20 0.51
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 2/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNMA1 Q12791 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
HDAC1 Q13547 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
SCHEMBL1808043 0.91 MRGPRX1 (0.53) MRGPRX1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL12165545 0.81 RECQL (0.48) MRGPRX1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL12099189 0.76 MRGPRX1 (0.57) MRGPRX1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL30294316 0.75 MRGPRX1 (0.56) MRGPRX1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL22853109 0.75 MRGPRX1 (0.56) MRGPRX1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL12165535 0.74 IRAK4 (0.45) MAPTLMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL30294699 0.74 MRGPRX1 (0.54) MRGPRX1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL22853077 0.74 MRGPRX1 (0.54) MRGPRX1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL12165506 0.73 TSHR (0.52) MAPTLMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL10661181 0.72 MAPT (0.44) MRGPRX1MAPTLMNASMN1; SMN2TSHR

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 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.