SCHEMBL2497979

SCHEMBL2497979

C[C@H](c1ccc(C=O)cc1Cl)c1ccccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 1/20 0.41
CYP2C9 P11712 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
UNG P13051 1/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2497978 1.00 ALDH1A1 (0.41) ALDH1A1NPC1CYP2C9RAB9ANPSR1
SCHEMBL30740752 0.81 RAB9A (0.44) ALDH1A1NPC1RAB9AKMT2APOLB
SCHEMBL2504810 0.78 PTPRG (0.43) ALDH1A1NPC1RAB9AKMT2AGAA
SCHEMBL2504808 0.78 PTPRG (0.43) ALDH1A1NPC1RAB9AKMT2AGAA
SCHEMBL2502168 0.77 HTT (0.42) ALDH1A1HTTAKR1C2AKR1C1
SCHEMBL2502171 0.77 HTT (0.42) ALDH1A1HTTAKR1C2AKR1C1
SCHEMBL2502616 0.76 ALDH1A1 (0.37) ALDH1A1CYP2C9NPSR1KMT2AGAA
SCHEMBL2502620 0.76 ALDH1A1 (0.37) ALDH1A1CYP2C9NPSR1KMT2AGAA
SCHEMBL134091 0.76 ALDH1A1 (0.59) ALDH1A1KMT2AGAATDP1TSHR
SCHEMBL19694977 0.73 SMN1; SMN2 (0.59) ALDH1A1NPC1RAB9AUNGKMT2A

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 ALDH1A1 1939/4885NPC1 2197/4885CYP2C9 228/4885

“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.