SCHEMBL2500690

SCHEMBL2500690

Cc1c(C(=O)O)ccc(Br)c1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.50
MYC P01106 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.37
CSNK2A1 P68400 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
EPRS1 P07814 1/20 0.35
TSHR P16473 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
LCK P06239 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
SCHEMBL18299681 0.81 ERN1 (0.41) ERN1MYCALDH1A1POLBL3MBTL1
SCHEMBL1527105 0.79 ERN1 (0.71) ERN1ALDH1A1HPGDTDP1CYP1A2
SCHEMBL29102557 0.78 TSHR (0.47) ERN1ALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL1251359 0.78 CYP1A2 (0.44) MYCALDH1A1HPGDCYP1A2MEN1
SCHEMBL6662766 0.78 ERN1 (0.47) ERN1ALDH1A1L3MBTL1HPGDSMN1; SMN2
SCHEMBL12760904 0.77 ERN1 (0.49) ERN1ALDH1A1CYP1A2TSHR
SCHEMBL6825535 0.76 CYP3A4 (0.38) ERN1MYCALDH1A1POLBL3MBTL1
SCHEMBL3980826 0.76 CYP1A2 (0.42) MYCALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL29102555 0.75 ERN1 (0.38) ERN1ALDH1A1POLBL3MBTL1HPGD
SCHEMBL29120783 0.75 ALDH1A1 (0.38) ERN1ALDH1A1POLBL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013041807-A1 NEW TRICYCLIC COMPOUNDS, PREPARATION METHOD AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-03-28 WO disclosed
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 ERN1 2062/4885MYC 3419/4885ALDH1A1 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.