SCHEMBL19629752

SCHEMBL19629752

Nc1ccc2c(c1)C(O)N([C@H]1CCCCNC1=O)C2=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 3/20 0.37
▸ DDB1 Q16531 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ RAB9A P51151 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ CCR2 P41597 1/20 0.30
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30
▸ NCSTN Q92542 1/20 0.30
▸ APH1A Q96BI3 1/20 0.30
▸ PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL19629754 0.83 TSHR (0.43) ALDH1A1KDM4EHSD17B10RAB9ATSHR
SCHEMBL19629704 0.82 CRBN (0.52) CRBNDDB1ALDH1A1TSHR
SCHEMBL22006041 0.79 TSHR (0.41) CRBNDDB1ALDH1A1KDM4EHSD17B10
SCHEMBL18263923 0.76 CRBN (0.62) CRBNDDB1ALDH1A1CASP1CASP7
SCHEMBL18263925 0.73 CRBN (0.65) CRBNDDB1
SCHEMBL24291413 0.70 CRBN (0.60) CRBNDDB1ALDH1A1TSHR
SCHEMBL30405557 0.69 CRBN (0.66) CRBNDDB1CASP1CASP7HSD17B10
SCHEMBL22939207 0.68 DDB1 (0.39) CRBNDDB1ALDH1A1KDM4E
SCHEMBL22845279 0.68 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL23561488 0.67 CRBN (0.66) CRBNDDB1ALDH1A1KDM4E

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-9938302-B2 Chimeric compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-04-10 — — US disclosed
US-20170334932-A1 CHIMERIC COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. 2017-11-23 — — 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-20170334932-A1 CHIMERIC COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF IKZF3, IKZF1, CKS1B CRBN 176/4885DDB1 2485/4885ALDH1A1 1357/4885

“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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