SCHEMBL2812979

SCHEMBL2812979

NC(=O)c1ccc(NC(=O)Nc2[nH]c(Cc3ccc(OCC(=O)O)cc3)nc2C(N)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
PPIA P62937 1/20 0.40
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
PARP10 Q53GL7 3/20 0.38
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38
ITGB5 P18084 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GPR174 Q9BXC1 1/20 0.38
MAPK1 P28482 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL17957266 0.92 MAPT (0.43) MAPTMEN1ALDH1A1KMT2ASAE1
SCHEMBL2816767 0.91 MEN1 (0.43) MAPTMEN1ALDH1A1KMT2ASAE1
SCHEMBL2815561 0.91 MAPT (0.44) MAPTMEN1ALDH1A1KMT2ASAE1
SCHEMBL2813209 0.91 LMNA (0.47) MAPTMEN1ALDH1A1KMT2ASAE1
SCHEMBL2816883 0.90 GRIN1 (0.47) MAPTMEN1ALDH1A1KMT2ACA12
SCHEMBL2816790 0.90 SAE1 (0.49) MAPTMEN1ALDH1A1KMT2ASAE1
SCHEMBL2815366 0.89 IDH1 (0.49) MAPTALDH1A1PPIA
SCHEMBL2814844 0.89 EPHX2 (0.43) MAPTMEN1ALDH1A1KMT2ACA12
SCHEMBL2816333 0.89 RAB9A (0.43) MAPTMEN1ALDH1A1KMT2ASAE1
SCHEMBL2815483 0.88 MEN1 (0.48) MAPTMEN1ALDH1A1KMT2APPIA

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
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
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 3810/4885MEN1 171/4885ALDH1A1 198/4885

“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.