SCHEMBL2502182

SCHEMBL2502182

Cc1c(C(=O)O)ccc([C@H](C)O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.42
ACE2 Q9BYF1 2/20 0.38
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CASP1 P29466 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MYC P01106 2/20 0.36
NR4A1 P22736 1/20 0.36
CYP1A2 P05177 2/20 0.35
METAP2 P50579 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PDE2A O00408 1/20 0.34
USP2 O75604 1/20 0.34
MT-CO2 P00403 1/20 0.34
LMNA P02545 1/20 0.34
TTR P02766 1/20 0.34
PLA2G1B P04054 1/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL2502805 0.83 GRM1 (0.46) GRM1ACE2TSHRALDH1A1MYC
SCHEMBL20768594 0.81 GRM1 (0.43) GRM1ACE2TSHRSMN1; SMN2CASP1
SCHEMBL1076595 0.79 L3MBTL1 (0.39) GRM1ACE2ALDH1A1KDM4ERAB9A
SCHEMBL1076594 0.79 L3MBTL1 (0.39) GRM1ACE2ALDH1A1KDM4ERAB9A
SCHEMBL4670497 0.75 TSHR (0.52) TSHRSMN1; SMN2CASP1ALDH1A1MYC
SCHEMBL1834641 0.75 CLCN2 (0.47) TSHRSMN1; SMN2CASP1ALDH1A1MYC
SCHEMBL29814908 0.75 CLCN2 (0.47) TSHRSMN1; SMN2CASP1ALDH1A1MYC
SCHEMBL246025 0.74 TSHR (0.51) TSHRSMN1; SMN2ALDH1A1MYCCYP1A2
SCHEMBL2499752 0.73 GRM1 (0.39) GRM1ACE2TSHRALDH1A1MYC
SCHEMBL19331772 0.73 GRM1 (0.39) GRM1ACE2TSHRSMN1; SMN2CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1813613-B1 NOVEL FUSED IMIDAZOLE DERIVATIVE MSD KK (JP) 2012-12-19 EP disclosed
US-8030327-B2 3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxyamide; polo like kinase inhibitor; antitumor and anticarcinogenic agent; mitotic phase (M phase) of the cell cycle MDS K.K. (JP) 2011-10-04 US disclosed
US-20080103136-A1 Novel Fused Imidazole Derivative MSD K.K. (JP) 2008-05-01 US disclosed
EP-1813613-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 EP 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-20080103136-A1 Novel Fused Imidazole Derivative HRH4, H1-4, H1-3 GRM1 886/4885ACE2 2386/4885TSHR 738/4885

“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.