SCHEMBL2816533

SCHEMBL2816533

COc1ccc(Cc2nc(C(N)=O)c(NC(=O)Nc3ccc(OC)c(Cl)c3)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
RAB9A P51151 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 3/20 0.48
MAPT P10636 8/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
HTT P42858 1/20 0.46
RAF1 P04049 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.44
NTRK1 P04629 1/20 0.43
NTRK2 Q16620 1/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL13133003 0.91 MEN1 (0.48) RAB9AMEN1KMT2APOLBMAPT
SCHEMBL2812896 0.86 NPC1 (0.55) SAE1UBA2RAB9AMEN1KMT2A
SCHEMBL2815380 0.85 MEN1 (0.57) SAE1UBA2RAB9AMEN1KMT2A
SCHEMBL2814845 0.84 CA12 (0.43) SAE1UBA2RAB9AMEN1KMT2A
SCHEMBL3994106 0.83 MEN1 (0.54) RAB9AMEN1KMT2APOLBMAPT
SCHEMBL13132987 0.82 SAE1 (0.51) SAE1UBA2RAB9AMEN1KMT2A
SCHEMBL2814844 0.82 EPHX2 (0.43) MEN1KMT2AMAPTNPC1HTT
SCHEMBL2812186 0.80 KDR (0.55) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL13132991 0.80 MAPT (0.54) RAB9AMEN1KMT2APOLBMAPT
SCHEMBL13133008 0.80 NTRK1 (0.50) RAB9AMEN1KMT2APOLBMAPT

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 2 patents. 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 disclosed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US 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-20100249132-A1 IMIDAZOLE DERIVATIVES SDHA, SDHB, TPD52L2 SAE1 902/4885UBA2 1374/4885RAB9A 882/4885

“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.