SCHEMBL25737033

SCHEMBL25737033

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ TP53 P04637 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ LMNA P02545 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ XIAP P98170 1/20 0.48
▸ BIRC2 Q13490 1/20 0.48
▸ TGM2 P21980 6/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ NOX1 Q9Y5S8 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ BRPF1 P55201 2/20 0.43
▸ F13A1 P00488 1/20 0.43
▸ TGM1 P22735 1/20 0.43
▸ TGM3 Q08188 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL25735906 0.90 SMN1; SMN2 (0.68) SMN1; SMN2TP53HSD17B10LMNAALDH1A1
SCHEMBL27056788 0.83 SMN1; SMN2 (0.51) SMN1; SMN2TP53HSD17B10LMNAALDH1A1
SCHEMBL27056782 0.74 PSMB8 (0.51) SMN1; SMN2TP53HSD17B10LMNATGM2
SCHEMBL25737029 0.72 PPARG (0.45) LMNATGM2NOX1F13A1TGM1
SCHEMBL25597800 0.71 HTR2B (0.54) SMN1; SMN2TP53LMNATGM2RAB9A
SCHEMBL28016711 0.71 TGM2 (0.49) TP53LMNATGM2NOX1MEN1
SCHEMBL26630402 0.69 NPC1 (0.55) LMNAALDH1A1TGM2RAB9ANOX1
SCHEMBL25598763 0.69 ALDH1A1 (0.70) SMN1; SMN2TP53HSD17B10LMNAALDH1A1
SCHEMBL439369 0.69 TGM2 (0.79) LMNATGM2F13A1TGM1TGM3
SCHEMBL6936101 0.68 RAB9A (0.45) SMN1; SMN2LMNATGM2RAB9ANOX1

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-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 (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-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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