SCHEMBL26606491

SCHEMBL26606491

O=C(Nc1nc2ccccc2s1)c1ccc(CN2CCN(C(=O)Nc3ccccc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.60
▸ ADORA1 P30542 1/20 0.60
▸ FAAH O00519 12/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ MAPT P10636 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ CASP1 P29466 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ SCD O00767 2/20 0.55
▸ KDM1A O60341 1/20 0.55

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
SCHEMBL30576806 1.00 ADORA2A (0.60) ADORA2AADORA1FAAHSMN1; SMN2MEN1
SCHEMBL26606504 0.94 ADORA2A (0.64) ADORA2AADORA1FAAHSMN1; SMN2MEN1
SCHEMBL29769923 0.94 ADORA2A (0.64) ADORA2AADORA1FAAHSMN1; SMN2MEN1
SCHEMBL29769910 0.93 FAAH (0.60) ADORA2AADORA1FAAHSMN1; SMN2MEN1
SCHEMBL29769932 0.93 FAAH (0.60) ADORA2AADORA1FAAHSMN1; SMN2MEN1
SCHEMBL26606454 0.93 FAAH (0.60) ADORA2AADORA1FAAHSMN1; SMN2MEN1
SCHEMBL26606543 0.93 FAAH (0.60) ADORA2AADORA1FAAHSMN1; SMN2MEN1
SCHEMBL29769919 0.93 NPC1 (0.62) ADORA2AADORA1FAAHSMN1; SMN2MEN1
SCHEMBL27193124 0.93 NPC1 (0.62) ADORA2AADORA1FAAHSMN1; SMN2MEN1
SCHEMBL29769918 0.91 PRKAB2 (0.64) ADORA2AADORA1FAAHNPC1RAB9A

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 3 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
EP-4269394-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) 2023-11-01 — — EP 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 ADORA2A 4682/4885ADORA1 3886/4885FAAH 4299/4885

“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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