SCHEMBL22862570

SCHEMBL22862570

COC(=O)c1ccc([C@H](C)Nc2nc(N)nc3oc(C)cc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ CAMK2D Q13557 1/20 0.37
▸ LDHA P00338 5/20 0.37
▸ LDHB P07195 3/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ TP53 P04637 2/20 0.36
▸ EGFR P00533 7/20 0.36
▸ GLA P06280 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ KDR P35968 3/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NFKB1 P19838 1/20 0.35

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
SCHEMBL29490260 1.00 RAB9A (0.38) RAB9AMAPTNPC1CAMK2DLDHA
SCHEMBL22862715 0.89 LDHA (0.45) LDHALDHBEGFRKDR
SCHEMBL29490352 0.89 LDHA (0.45) LDHALDHBEGFRKDR
SCHEMBL29490306 0.89 EGFR (0.46) CAMK2DSMN1; SMN2EGFRKDRPDGFRB
SCHEMBL22862554 0.89 EGFR (0.46) CAMK2DSMN1; SMN2EGFRKDRPDGFRB
SCHEMBL22862606 0.84 NPC1 (0.33) RAB9AMAPTNPC1LDHALDHB
SCHEMBL29490277 0.84 NPC1 (0.33) RAB9AMAPTNPC1LDHALDHB
SCHEMBL22862694 0.84 EGFR (0.39) SMN1; SMN2EGFRKDRPDGFRBTSHR
SCHEMBL22862575 0.82 EGFR (0.37) SMN1; SMN2EGFRKDRPDGFRBTSHR
SCHEMBL22862653 0.82 EGFR (0.44) SMN1; SMN2EGFRKDRPDGFRBKDM4E

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-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 — — US disclosed
WO-2021002986-A2 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2021-01-07 — — WO 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 RAB9A 1715/4885MAPT 3679/4885NPC1 2708/4885

“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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