SCHEMBL25735906

SCHEMBL25735906

C=CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.68
▸ TP53 P04637 2/20 0.68
▸ HSD17B10 Q99714 2/20 0.68
▸ ALDH1A1 P00352 4/20 0.61
▸ HTT P42858 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ XIAP P98170 1/20 0.58
▸ BIRC2 Q13490 1/20 0.58
▸ RAB9A P51151 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ BRPF1 P55201 3/20 0.52
▸ BRD4 O60885 2/20 0.51
▸ MAPT P10636 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NR0B1 P51843 1/20 0.50
▸ TGM2 P21980 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL25737033 0.90 SMN1; SMN2 (0.55) SMN1; SMN2TP53HSD17B10ALDH1A1HTT
SCHEMBL27056788 0.86 SMN1; SMN2 (0.51) SMN1; SMN2TP53HSD17B10ALDH1A1HTT
SCHEMBL27056782 0.77 PSMB8 (0.51) SMN1; SMN2TP53HSD17B10LMNABRD4
SCHEMBL11545418 0.76 SMN1; SMN2 (0.74) SMN1; SMN2TP53HSD17B10ALDH1A1HTT
SCHEMBL28016711 0.75 TGM2 (0.49) TP53LMNAMEN1KMT2AMAPT
SCHEMBL25597800 0.75 HTR2B (0.54) SMN1; SMN2TP53LMNARAB9AMEN1
SCHEMBL15474185 0.74 XIAP (1.00) SMN1; SMN2TP53HSD17B10ALDH1A1HTT
SCHEMBL27256654 0.73 SMN1; SMN2 (0.64) SMN1; SMN2TP53HSD17B10ALDH1A1HTT
SCHEMBL26630402 0.72 NPC1 (0.55) ALDH1A1LMNARAB9ABRD4MAPT
SCHEMBL25598763 0.72 ALDH1A1 (0.70) SMN1; SMN2TP53HSD17B10ALDH1A1HTT

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-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 — — US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 — — 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-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS SMN1; SMN2 3607/4885TP53 1216/4885HSD17B10 527/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 SMN1; SMN2 3469/4885TP53 355/4885HSD17B10 3033/4885

“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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