SCHEMBL21695294

SCHEMBL21695294

Cc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)C2(C(=O)NCCCCCN3C(=O)C=CC3=O)CCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ EHMT2 Q96KQ7 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SIRT1 Q96EB6 3/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ HPN P05981 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ SIRT2 Q8IXJ6 3/20 0.32
▸ FAP Q12884 3/20 0.32

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
SCHEMBL17813693 0.93 RAB9A (0.36) RAB9ASIRT1OPRM1OPRD1OPRK1
SCHEMBL17650868 0.92 HDAC3 (0.32) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL16847844 0.92 OPRM1 (0.33) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17801960 0.92 ITGB1 (0.34) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL22698603 0.91 SIRT2 (0.35) SIRT1OPRM1OPRD1OPRK1SIRT2
SCHEMBL20830828 0.89 SIRT2 (0.34) SIRT1OPRM1OPRD1OPRK1SIRT2
SCHEMBL19683931 0.89 SIRT2 (0.37) SIRT1SIRT2FAP
SCHEMBL21695307 0.89 OPRM1 (0.34) RAB9AOPRM1OPRD1OPRK1PSEN1
SCHEMBL28953170 0.88 SIRT2 (0.38) SIRT1SIRT2FAP
SCHEMBL17803640 0.86 PDF (0.38) EHMT2NPC1RAB9ASMN1; SMN2

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-10556895-B2 Quaternary amine compounds and antibody-drug conjugates thereof GENENTECH, INC. (US) 2020-02-11 — — 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-10556895-B2 Quaternary amine compounds and antibody-drug conjugates thereof H1-5, H1-4, CD47 HDAC3 724/4885HDAC1 978/4885HDAC2 1438/4885

“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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