SCHEMBL29769921

SCHEMBL29769921

Cn1c(NC(=O)c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ MMP7 P09237 3/20 0.48
▸ MMP12 P39900 3/20 0.48
▸ MMP3 P08254 2/20 0.48
▸ MMP10 P09238 2/20 0.48
▸ MMP8 P22894 2/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ OPRK1 P41145 6/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ TSHR P16473 3/20 0.47
▸ OPRM1 P35372 3/20 0.47
▸ OPRD1 P41143 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ PCSK9 Q8NBP7 1/20 0.47
▸ USP2 O75604 1/20 0.47

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
SCHEMBL26606512 1.00 RAB9A (0.54) RAB9ANPC1MMP7MMP12MMP3
SCHEMBL27193122 0.86 RAB9A (0.63) RAB9ANPC1HDAC1OPRK1KDM4E
SCHEMBL26606513 0.81 PCSK9 (0.64) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL26606466 0.81 NPC1 (0.58) RAB9ANPC1OPRK1KDM4ESMN1; SMN2
SCHEMBL30866242 0.81 PCSK9 (0.64) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL30866246 0.81 NPC1 (0.58) RAB9ANPC1OPRK1KDM4ESMN1; SMN2
SCHEMBL20333119 0.79 SUCNR1 (0.49) RAB9AHDAC1HDAC6KDM4ESMN1; SMN2
SCHEMBL20333146 0.79 MAPK8 (0.51) RAB9AHDAC1HDAC6KDM4ESMN1; SMN2
SCHEMBL7623464 0.77 NOD1 (0.46) MMP7MMP12MMP3MMP10MMP8
SCHEMBL17066302 0.75 NPC1 (0.62) RAB9ANPC1KDM4ETSHRSMN1; SMN2

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-20240116897-A1 BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-04-11 — — US disclosed
WO-2022164135-A1 BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2022-08-04 — — 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-20240116897-A1 BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT SIRT7, SIRT1, BRD7 RAB9A 2738/4885NPC1 1296/4885MMP7 360/4885

“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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