SCHEMBL21858972

SCHEMBL21858972

[CH2]c1ccc(NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)OCC=C)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CASP1 P29466 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL19211624 1.00 HTT (0.41) HTTBACE1MEN1KMT2ALMNA
SCHEMBL19239617 0.89 BACE1 (0.40) HTTBACE1MEN1KMT2ALMNA
SCHEMBL12245284 0.89 BACE1 (0.40) HTTBACE1MEN1KMT2ALMNA
SCHEMBL22283040 0.89 BACE1 (0.40) HTTBACE1MEN1KMT2ALMNA
SCHEMBL22283041 0.89 BACE1 (0.40) HTTBACE1MEN1KMT2ALMNA
SCHEMBL16500043 0.88 HTT (0.39) HTTBACE1MEN1KMT2ALMNA
SCHEMBL2560115 0.88 HTT (0.39) HTTBACE1MEN1KMT2ALMNA
SCHEMBL17196627 0.86 MEN1 (0.45) HTTBACE1MEN1KMT2ALMNA
SCHEMBL17918547 0.86 MEN1 (0.43) HTTBACE1MEN1KMT2ALMNA
SCHEMBL29895834 0.82 BACE1 (0.37) HTTBACE1MEN1KMT2ALMNA

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-20210316006-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2021-10-14 — — US disclosed
WO-2020079239-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2020-04-23 — — WO 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-20210316006-A1 PYRROLOBENZODIAZEPINE CONJUGATES BCR, MCL1, CD79B HTT 3399/4885BACE1 2816/4885MEN1 2781/4885

“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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