SCHEMBL19253859

SCHEMBL19253859

CC(C)[C@H](NC(=O)O)C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(=O)NCC#Cc2cc(CBr)cc(CBr)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PTPN11 Q06124 1/20 0.37
▸ ELANE P08246 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ TPSAB1 Q15661 2/20 0.35
▸ PLG P00747 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ PRTN3 P24158 1/20 0.35
▸ CASP1 P29466 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSD P07339 1/20 0.34

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
SCHEMBL19253860 1.00 MEN1 (0.39) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL19253857 0.92 MEN1 (0.40) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL17594102 0.92 MEN1 (0.40) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL19253856 0.92 MEN1 (0.40) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL19277934 0.90 PTPN11 (0.44) MEN1LMNAKMT2APTPN11CA2
SCHEMBL19277937 0.83 PTPN11 (0.45) MEN1LMNAKMT2APTPN11CA2
SCHEMBL19253846 0.82 MEN1 (0.45) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL19253847 0.82 MEN1 (0.45) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL17592844 0.80 MEN1 (0.44) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL17592842 0.80 MEN1 (0.44) MEN1LMNAKMT2ANPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10420777-B2 Pyrrolobenzodiazepines and conjugates thereof MEDIMMUNE LIMITED (GB) 2019-09-24 — — US disclosed
EP-3191490-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LTD (GB) 2019-08-07 — — EP disclosed
US-20170239365-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2017-08-24 — — 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 (2 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-10420777-B2 Pyrrolobenzodiazepines and conjugates thereof CD79B, BOD1L1, GABRA1 MEN1 1480/4885LMNA 1707/4885KMT2A 2541/4885
US-20170239365-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, BOD1L1, GABRA1 MEN1 1480/4885LMNA 1707/4885KMT2A 2541/4885

“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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