SCHEMBL24704109

SCHEMBL24704109

CCCOc1cccc(-c2ncn(Cc3ccc4c(c3)n(C)c(=O)n4C)c2C2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.38
▸ ADORA2A P29274 3/20 0.38
▸ TP53 P04637 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TRIM24 O15164 3/20 0.37
▸ VHL P40337 1/20 0.37
▸ FPR2 P25090 1/20 0.36
▸ SDHB P21912 1/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ MAPK14 Q16539 4/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL22862776 0.92 TP53 (0.36) ADORA2ATP53RXFP1SMN1; SMN2HTT
SCHEMBL29490284 0.85 MAPK14 (0.42) RXFP1SMN1; SMN2LMNATSHRHTT
SCHEMBL22862432 0.85 MAPK14 (0.42) RXFP1SMN1; SMN2LMNATSHRHTT
SCHEMBL22862944 0.81 MAPK14 (0.38) TP53SMN1; SMN2LMNATSHRHTT
SCHEMBL22862559 0.81 THRB (0.40) TP53RXFP1SMN1; SMN2LMNATSHR
SCHEMBL29490282 0.81 THRB (0.40) TP53RXFP1SMN1; SMN2LMNATSHR
SCHEMBL29490287 0.76 POLB (0.45) RXFP1SMN1; SMN2LMNATSHRHTT
SCHEMBL22862548 0.76 POLB (0.45) RXFP1SMN1; SMN2LMNATSHRHTT
SCHEMBL22862915 0.74 SMN1; SMN2 (0.33) SMN1; SMN2LMNATSHRHTTTRIM24
SCHEMBL22862994 0.73 KDM4E (0.37) TP53SMN1; SMN2TSHRMAPK14MAPT

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-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 — — 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-20220389028-A1 BAX INHIBITORS AND USES THEREOF BAX, TMBIM6, BCL2 BACE1 282/4885ADORA2A 4518/4885TP53 39/4885

“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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