SCHEMBL30668271

SCHEMBL30668271

Cc1ccc(Cl)c2[nH]c(Nc3ccc(Cl)cc3Cl)c(C(=O)CC(C)C)c(=O)c12

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 7/20 0.63
CTSL P07711 6/20 0.63
CTSB P07858 6/20 0.63
LIN28A Q9H9Z2 2/20 0.60
CTSH P09668 3/20 0.55
KCNH2 Q12809 2/20 0.45
CTSD P07339 1/20 0.44
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADRA2A P08913 1/20 0.36
CLCN2 P51788 1/20 0.36
KDM4E B2RXH2 1/20 0.33
CNR2 P34972 1/20 0.32
JAK2 O60674 1/20 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
SCHEMBL24186007 1.00 CAPN1 (0.63) CAPN1CTSLCTSBLIN28ACTSH
SCHEMBL26727214 0.92 CAPN1 (0.63) CAPN1CTSLCTSBLIN28ACTSH
SCHEMBL30668263 0.90 CAPN1 (0.63) CAPN1CTSLCTSBLIN28ACTSH
SCHEMBL24186203 0.90 CAPN1 (0.63) CAPN1CTSLCTSBLIN28ACTSH
SCHEMBL30668266 0.89 CAPN1 (0.62) CAPN1CTSLCTSBLIN28ACTSH
SCHEMBL24186230 0.89 CAPN1 (0.62) CAPN1CTSLCTSBLIN28ACTSH
SCHEMBL24186282 0.89 CAPN1 (0.62) CAPN1CTSLCTSBLIN28ACTSH
SCHEMBL30668237 0.89 CAPN1 (0.62) CAPN1CTSLCTSBLIN28ACTSH
SCHEMBL24186004 0.88 CAPN1 (0.60) CAPN1CTSLCTSBLIN28ACTSH
SCHEMBL24186284 0.88 CAPN1 (0.60) CAPN1CTSLCTSBLIN28ACTSH

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-20240148716-A1 COMPOSITIONS AND METHODS FOR ADJUVANT CANCER THERAPEUTICS DUKE UNIVERSITY (US) 2024-05-09 US disclosed
US-11801242-B2 Compositions and methods for adjuvant cancer therapeutics DUKE UNIVERSITY (US) 2023-10-31 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-11801242-B2 Compositions and methods for adjuvant cancer therapeutics TP53, PLK1, NRAS CAPN1 3215/4885CTSL 1704/4885CTSB 357/4885
US-20240148716-A1 COMPOSITIONS AND METHODS FOR ADJUVANT CANCER THERAPEUTICS TP53, PLK1, NRAS CAPN1 3215/4885CTSL 1704/4885CTSB 357/4885

“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.