SCHEMBL2502168

SCHEMBL2502168

CC(c1ccc(C#N)cc1Cl)c1ccccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
TRPM4 Q8TD43 1/20 0.41
ALDH1A1 P00352 2/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
CCR2 P41597 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
AVPR2 P30518 1/20 0.39
GPR27 Q9NS67 1/20 0.39
AR P10275 2/20 0.38
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
NOTUM Q6P988 1/20 0.38
ALB P02768 1/20 0.37
CYP11B1 P15538 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
EEF2K O00418 1/20 0.37
PRSS1 P07477 1/20 0.37
CTSG P08311 1/20 0.37
CTRB1 P17538 1/20 0.37

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
SCHEMBL2502171 1.00 HTT (0.42) HTTTRPM4ALDH1A1AKR1C2AKR1C1
SCHEMBL30740752 0.80 RAB9A (0.44) ALDH1A1AKR1C2AKR1C1
SCHEMBL2497979 0.77 ALDH1A1 (0.41) HTTALDH1A1AKR1C2AKR1C1
SCHEMBL2504808 0.77 PTPRG (0.43) HTTALDH1A1AKR1C2AKR1C1
SCHEMBL2504810 0.77 PTPRG (0.43) HTTALDH1A1AKR1C2AKR1C1
SCHEMBL2497978 0.77 ALDH1A1 (0.41) HTTALDH1A1AKR1C2AKR1C1
SCHEMBL24680134 0.76 XDH (0.45) HTTXDHSLC22A12NOTUMALB
SCHEMBL134091 0.75 ALDH1A1 (0.59) ALDH1A1
SCHEMBL508503 0.74 TSHR (0.57) HTTTRPM4ALDH1A1AKR1C2AKR1C1
SCHEMBL2502620 0.73 ALDH1A1 (0.37) HTTALDH1A1CCR2AR

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 HTT 2754/4885TRPM4 2789/4885ALDH1A1 1939/4885

“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.