SCHEMBL2502805

SCHEMBL2502805

Cc1c(C(=O)O)ccc([C@H](C)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.46
ACE2 Q9BYF1 2/20 0.41
METAP2 P50579 1/20 0.40
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.37
HAAO P46952 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36

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
SCHEMBL2943909 0.86 ACE2 (0.50) GRM1ACE2CYP1A2ALDH1A1TSHR
SCHEMBL2502182 0.83 GRM1 (0.42) GRM1ACE2METAP2CYP1A2ALDH1A1
SCHEMBL246025 0.82 TSHR (0.51) CYP1A2ALDH1A1TSHRMYCALOX15
SCHEMBL25607496 0.80 GRM1 (0.50) GRM1ACE2CYP1A2ALDH1A1TSHR
SCHEMBL128319 0.80 CYP1A2 (0.58) GRM1CYP1A2ALDH1A1TSHRHAAO
SCHEMBL31389208 0.80 CYP1A2 (0.58) GRM1CYP1A2ALDH1A1TSHRHAAO
SCHEMBL2499752 0.78 GRM1 (0.39) GRM1ACE2METAP2CYP1A2ALDH1A1
Ammonia Solution, Strong SCHEMBL29137499 0.78 CYP1A2 (0.55) GRM1CYP1A2ALDH1A1TSHRHAAO
Propylene Glycol SCHEMBL28950026 0.78 TDP1 (0.42) GRM1ACE2CYP1A2ALDH1A1TSHR
SCHEMBL24019777 0.74 CSNK2A1 (0.50) ACE2CYP1A2ALDH1A1CSNK2A1

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 2386/4885METAP2 4431/4885

“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.