SCHEMBL2814865

SCHEMBL2814865

CCCCOc1ccc(NC(=O)Nc2[nH]c(Cc3ccc(C(=O)OC)cc3)nc2C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CASP1 P29466 1/20 0.44
MAPT P10636 10/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.43
SAE1 Q9UBE0 2/20 0.43
UBA2 Q9UBT2 2/20 0.43
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
STAT3 P40763 1/20 0.41

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
SCHEMBL17957259 0.92 CA12 (0.45) CA12CA1CA2CA9MAPT
SCHEMBL2834450 0.90 CA12 (0.47) CA12CA1CA2CA9MAPT
SCHEMBL2813833 0.90 CA12 (0.47) CA12CA1CA2CA9MAPT
SCHEMBL2839538 0.87 CA12 (0.44) CA12CA1CA2CA9NPC1
SCHEMBL2814957 0.87 EPHX2 (0.47) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2813822 0.83 MAPT (0.43) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2815140 0.83 CA12 (0.42) CA12CA1CA2CA9NPC1
SCHEMBL2815561 0.82 MAPT (0.44) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2816527 0.82 CA12 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL17957264 0.81 CA12 (0.46) CA12CA1CA2CA9NPC1

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 claimed
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 CA12 2457/4885CA1 2279/4885CA2 2001/4885

“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.