SCHEMBL2812307

SCHEMBL2812307

NC(=O)c1nc(Cc2ccc(OCC(=O)O)cc2)[nH]c1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
ACR P10323 4/20 0.47
TP53 P04637 2/20 0.44
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALPL P05186 3/20 0.41
CA12 O43570 1/20 0.41
ERAP2 Q6P179 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
LNPEP Q9UIQ6 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
PTPN7 P35236 1/20 0.40
RECQL P46063 1/20 0.40
DUSP3 P51452 1/20 0.40

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
SCHEMBL2812309 0.88 MAPT (0.49) MAPTACRTP53ALDH1A1NPC1
SCHEMBL2816780 0.88 ACR (0.51) MAPTACRTP53ALPLCA12
SCHEMBL2816774 0.88 ACR (0.51) MAPTACRTP53ALPLCA12
SCHEMBL2813209 0.82 LMNA (0.47) MAPTALDH1A1NPC1HTTRAB9A
SCHEMBL2812930 0.82 LMNA (0.44) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL25274611 0.82 ADORA3 (0.48) ALDH1A1NPC1RAB9A
SCHEMBL2815550 0.79 RAB9A (0.44) MAPTNPC1HTTRAB9ALMNA
SCHEMBL25718728 0.78 PTPN1 (0.42) MAPTALDH1A1NPC1GAARAB9A
SCHEMBL25233056 0.78 ITGB3 (0.48) ALDH1A1SMN1; SMN2KDM4EMCL1
SCHEMBL2815628 0.77 MAPT (0.44) MAPTNPC1HTTRAB9ACA12

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 MAPT 3810/4885ACR 3738/4885TP53 68/4885

“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.