SCHEMBL20149172

SCHEMBL20149172

CCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(C)C)C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 3/20 0.49
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ SIRT1 Q96EB6 5/20 0.36
▸ SIRT2 Q8IXJ6 5/20 0.36
▸ SIRT3 Q9NTG7 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL27291528 0.91 FURIN (0.49) FURINHTTSMN1; SMN2TP53L3MBTL1
SCHEMBL24393476 0.90 FURIN (0.40) FURINHTTSMN1; SMN2L3MBTL1KMT2A
SCHEMBL22064590 0.90 FURIN (0.51) FURINHTTSMN1; SMN2TP53L3MBTL1
SCHEMBL25124339 0.89 FURIN (0.43) FURINHTTSMN1; SMN2L3MBTL1SIRT1
SCHEMBL23387007 0.89 KIF11 (0.41) FURINHTTSMN1; SMN2L3MBTL1LMNA
SCHEMBL16769624 0.88 FURIN (0.41) FURINHTTSMN1; SMN2SIRT1SIRT2
SCHEMBL25655950 0.88 FURIN (0.41) FURINHTTSMN1; SMN2SIRT1SIRT2
SCHEMBL24220965 0.88 SIRT2 (0.44) FURINHTTSIRT1SIRT2SIRT3
SCHEMBL22268356 0.88 SIRT2 (0.44) FURINHTTSIRT1SIRT2SIRT3
SCHEMBL24220963 0.88 SIRT2 (0.41) FURINHTTSMN1; SMN2SIRT1SIRT2

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 FURIN 2528/4885HTT 1453/4885SMN1; SMN2 2060/4885

“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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