SCHEMBL21949515

SCHEMBL21949515

BCc1ccc(NC(=O)CNC(=O)C2(C(=O)NCCCCCN3C(=O)CC(C(CC)CC)C3=O)CCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PSEN1 P49768 6/20 0.34
▸ PSEN2 P49810 6/20 0.34
▸ APH1B Q8WW43 6/20 0.34
▸ NCSTN Q92542 6/20 0.34
▸ APH1A Q96BI3 6/20 0.34
▸ PSENEN Q9NZ42 6/20 0.34
▸ ALDH1A1 P00352 2/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL19684092 0.93 MEN1 (0.34) MEN1KMT2ASMN1; SMN2RAB9APSEN1
SCHEMBL19684096 0.91 MEN1 (0.33) MEN1KMT2ASMN1; SMN2RAB9APSEN1
SCHEMBL23889705 0.86 RAB9A (0.34) MEN1KMT2ASMN1; SMN2RAB9APSEN1
SCHEMBL19684093 0.84 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1HDAC3
SCHEMBL19698830 0.84 ALDH1A1 (0.33) MEN1KMT2ASMN1; SMN2RAB9APSEN1
SCHEMBL23889723 0.83 PSEN1 (0.34) MEN1KMT2ASMN1; SMN2RAB9APSEN1
SCHEMBL22220123 0.77 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1HDAC3
SCHEMBL19774664 0.76 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL19683917 0.75 SMN1; SMN2 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL20830999 0.73 OPRM1 (0.36) KMT2ASMN1; SMN2RAB9APSEN1PSEN2

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-10639378-B2 Silvestrol antibody-drug conjugates and methods of use GENENTECH, INC. (US) 2020-05-05 — — 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-10639378-B2 Silvestrol antibody-drug conjugates and methods of use SHBG, EPCAM, ITGAV MEN1 3118/4885KMT2A 503/4885SMN1; SMN2 3848/4885

“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.

Send feedback