SCHEMBL2813744

SCHEMBL2813744

CC(=O)Oc1ccc(Cc2nc(C(N)=O)c(NC(=O)Nc3cccc(C)c3C)[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
FLT3 P36888 2/20 0.40
THRB P10828 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 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
SCHEMBL17957303 0.88 ALDH1A1 (0.41) HRH3FLT3ALDH1A1MEN1KMT2A
SCHEMBL2813738 0.87 HRH3 (0.44) HRH3FLT3THRBALDH1A1MEN1
SCHEMBL2818220 0.83 SAE1 (0.42) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL2816764 0.82 MAPT (0.48) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL2815632 0.82 KDR (0.46) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL2816415 0.82 HRH3 (0.40) HRH3ALDH1A1MEN1KMT2AMAPT
SCHEMBL2814090 0.80 LMNA (0.43) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL2814969 0.80 FLT3 (0.43) FLT3MEN1KMT2AMAPTGAA
SCHEMBL2816047 0.80 SAE1 (0.39) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL2814139 0.80 KMT2A (0.44) MEN1KMT2AMAPTRAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US claimed

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-20100249132-A1 IMIDAZOLE DERIVATIVES SDHA, SDHB, TPD52L2 HRH3 2158/4885FLT3 186/4885THRB 2829/4885

“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.