SCHEMBL953073

SCHEMBL953073

ClCc1cn(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.66
ALDH1A1 P00352 5/20 0.66
MAPT P10636 3/20 0.66
NPSR1 Q6W5P4 3/20 0.66
USP2 O75604 1/20 0.66
HPGD P15428 1/20 0.66
HSD17B10 Q99714 1/20 0.66
RAB9A P51151 3/20 0.57
MEN1 O00255 2/20 0.57
NPC1 O15118 2/20 0.57
KMT2A Q03164 2/20 0.57
DRD2 P14416 1/20 0.57
CCNE1 P24864 4/20 0.56
CDK2 P24941 4/20 0.56
GAA P10253 1/20 0.55
HTT P42858 4/20 0.54
LMNA P02545 3/20 0.54
XBP1 P17861 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MITF O75030 1/20 0.54

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
SCHEMBL11255223 0.91 KDM4E (0.71) KDM4EALDH1A1MAPTNPSR1USP2
SCHEMBL29528289 0.83 KDM4E (0.66) KDM4EALDH1A1MAPTNPSR1USP2
SCHEMBL12943711 0.83 KDM4E (0.69) KDM4EALDH1A1MAPTNPSR1USP2
SCHEMBL11249366 0.83 KDM4E (0.93) KDM4EALDH1A1MAPTNPSR1USP2
SCHEMBL13257234 0.83 KDM4E (0.66) KDM4EALDH1A1MAPTNPSR1USP2
SCHEMBL10058002 0.80 KDM4E (0.62) KDM4EALDH1A1MAPTNPSR1USP2
SCHEMBL11240095 0.79 KDM4E (0.60) KDM4EALDH1A1MAPTNPSR1USP2
SCHEMBL10025206 0.79 KDM4E (0.60) KDM4EALDH1A1MAPTNPSR1USP2
SCHEMBL10407060 0.79 KDM4E (1.00) KDM4EALDH1A1MAPTNPSR1USP2
SCHEMBL2901692 0.79 KDM4E (0.60) KDM4EALDH1A1MAPTNPSR1USP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454264-A1 TRICYCLIC INDOLE-DERIVED SPIRO DERIVATIVES AS CRTH2 MODULATORS Merck Serono S.A. (CH) 2012-05-23 EP disclosed
US-20120115895-A1 TRICYCLIC INDOLE-DERIVED SPIRO DERIVATIVES AS CRTH2 MODULATORS MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
WO-2011006936-A1 TRICYCLIC INDOLE-DERIVED SPIRO DERIVATIVES AS CRTH2 MODULATORS MERCK SERONO S.A. (CH) 2011-01-20 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-20120115895-A1 TRICYCLIC INDOLE-DERIVED SPIRO DERIVATIVES AS CRTH2 MODULATORS HRH2, HRH1, LTC4S KDM4E 4455/4885ALDH1A1 650/4885MAPT 205/4885

“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.