SCHEMBL2500688

SCHEMBL2500688

CC(C)(CO)NCc1cc[c]cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
ALDH1A1 P00352 4/20 0.40
CYP2D6 P10635 3/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TRPV3 Q8NET8 1/20 0.38
CCR5 P51681 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
ALOX15 P16050 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAD52 P43351 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL3631502 0.80 HTT (0.61) HTTALDH1A1CYP2D6KMT2AMEN1
SCHEMBL2879093 0.79 LTA4H (0.37) HTTALDH1A1CYP2D6RAB9A
Hydrochloric Acid SCHEMBL12492936 0.78 HTT (0.64) HTTALDH1A1CYP2D6KMT2AMEN1
SCHEMBL2496345 0.76 HTT (0.45) HTTALDH1A1CYP2D6KMT2AMEN1
SCHEMBL51355 0.74 HTT (0.58) HTTALDH1A1CYP2D6KMT2AMEN1
SCHEMBL4430003 0.69 MEN1 (0.46) ALDH1A1KMT2AMEN1LMNAMAPK1
SCHEMBL1243518 0.69
SCHEMBL25156570 0.69 HTT (0.49) HTTALDH1A1CYP2D6KMT2AMEN1
SCHEMBL4021506 0.69 HTT (0.53) HTTALDH1A1CYP2D6KMT2AMEN1
SCHEMBL8125177 0.68

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 2754/4885ALDH1A1 1939/4885CYP2D6 110/4885

“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.