SCHEMBL27193122

SCHEMBL27193122

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.63
▸ NPC1 O15118 4/20 0.63
▸ PDE11A Q9HCR9 1/20 0.54
▸ PDE10A Q9Y233 1/20 0.54
▸ KDM4E B2RXH2 7/20 0.52
▸ OPRK1 P41145 6/20 0.52
▸ TSHR P16473 5/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ OPRM1 P35372 3/20 0.52
▸ OPRD1 P41143 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ USP2 O75604 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 2/20 0.51
▸ NPSR1 Q6W5P4 4/20 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
SCHEMBL29769921 0.86 RAB9A (0.54) RAB9ANPC1PDE11APDE10AKDM4E
SCHEMBL26606512 0.86 RAB9A (0.54) RAB9ANPC1PDE11APDE10AKDM4E
SCHEMBL29510945 0.79 RAB9A (1.00) RAB9ANPC1PDE11APDE10AKDM4E
SCHEMBL14773948 0.79 RAB9A (1.00) RAB9ANPC1PDE11APDE10AKDM4E
SCHEMBL27193119 0.77 NPC1 (0.62) RAB9ANPC1KDM4EOPRK1HSD17B10
SCHEMBL27193117 0.77 ADORA2A (0.64) RAB9ANPC1KDM4EHSD17B10SMN1; SMN2
SCHEMBL17916715 0.77 RAB9A (0.89) RAB9ANPC1PDE11APDE10AKDM4E
SCHEMBL11710636 0.74 OPRK1 (0.64) RAB9AKDM4EOPRK1TSHRHSD17B10
SCHEMBL19720903 0.71 PRKAA2 (0.59) TSHRSMN1; SMN2TP53LMNAKMT2A
SCHEMBL2850013 0.71 ALDH1A1 (0.70) KDM4ETSHRSMN1; SMN2MAPK1LMNA

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-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

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 1296/4885PDE11A 3101/4885

“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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