SCHEMBL20149309

SCHEMBL20149309

CCOC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(CO)cc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.50
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ HLA-DRB1 P01911 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL12245284 0.86 BACE1 (0.40) HTTMEN1KMT2ALMNAMAPT
SCHEMBL22283040 0.86 BACE1 (0.40) HTTMEN1KMT2ALMNAMAPT
SCHEMBL22283041 0.86 BACE1 (0.40) HTTMEN1KMT2ALMNAMAPT
SCHEMBL19239617 0.86 BACE1 (0.40) HTTMEN1KMT2ALMNAMAPT
SCHEMBL14862556 0.86 HTT (0.43) HTTMEN1KMT2ATP53MAPT
SCHEMBL17593772 0.86 HTT (0.43) HTTMEN1KMT2ATP53MAPT
SCHEMBL23286091 0.85 HTT (0.41) HTTMEN1KMT2ALMNACA2
SCHEMBL22815478 0.85 MEN1 (0.56) MEN1KMT2ACA2
SCHEMBL19391315 0.85 MEN1 (0.56) MEN1KMT2ACA2
SCHEMBL19277932 0.85 MEN1 (0.56) MEN1KMT2ACA2

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-20180134717-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2018-05-17 — — 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-20180134717-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF HDAC10, PBDC1, PDCD10 HTT 1453/4885MEN1 930/4885KMT2A 1040/4885

“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.

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