SCHEMBL18171537

SCHEMBL18171537

c1ccc2[nH]c(-c3ccon3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.60
RAB9A P51151 9/20 0.60
SMN1; SMN2 Q16637 7/20 0.60
ALDH1A1 P00352 7/20 0.60
KDM4E B2RXH2 6/20 0.60
TP53 P04637 5/20 0.60
PKM P14618 4/20 0.60
HSD17B10 Q99714 4/20 0.60
NPSR1 Q6W5P4 2/20 0.60
ABCB11 O95342 1/20 0.60
HPGD P15428 5/20 0.56
METAP2 P50579 3/20 0.56
ALOX15 P16050 2/20 0.56
TSHR P16473 2/20 0.56
METAP1 P53582 2/20 0.56
LMNA P02545 1/20 0.56
MTOR P42345 1/20 0.56
ADORA3 P0DMS8 2/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54

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
SCHEMBL30634854 0.77 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL30561047 0.77 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL172216 0.77 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1272832 0.76 NPC1 (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL18171543 0.76 METAP1 (0.62) METAP2METAP1
Water SCHEMBL9817804 0.75 NPC1 (0.95) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28888422 0.75 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28451643 0.75 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL31509605 0.74 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29079508 0.74 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10118920-B2 Isoxazolyl substituted benzimidazoles CELLCENTRIC LTD (GB) 2018-11-06 US claimed
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 US claimed
CN-107750249-A The benzimidazole of isoxazolyl substitution 塞尔森瑞科有限责任公司 2018-03-02 CN claimed
EP-3286183-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES Cellcentric Ltd (GB) 2018-02-28 EP claimed
WO-2016170324-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2016-10-27 WO claimed
CN-115716822-B Application of benzimidazolyl isoxazoles in preparation of medicines related to multiple myeloma 徐州医科大学 2025-05-16 CN disclosed
CN-115716822-A Application of benzimidazolyl isoxazole compound in preparation of medicines related to multiple myeloma 徐州医科大学 2023-02-28 CN disclosed
CN-115716822-A Application of benzimidazolyl isoxazole compound in preparation of medicines related to multiple myeloma 徐州医科大学 2023-02-28 CN disclosed
CN-115716822-A Application of benzimidazolyl isoxazole compound in preparation of medicines related to multiple myeloma 徐州医科大学 2023-02-28 CN disclosed
CN-107750251-B Isoxazolyl-substituted imidazopyridines 塞尔森瑞科有限责任公司 2020-09-01 CN disclosed
US-10428065-B2 Isoxazolyl substituted imidazopyridines CELLCENTRIC LTD (GB) 2019-10-01 US disclosed
EP-3286188-B1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2019-03-20 EP disclosed
CN-107750249-A The benzimidazole of isoxazolyl substitution 塞尔森瑞科有限责任公司 2018-03-02 CN disclosed
EP-3286183-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES Cellcentric Ltd (GB) 2018-02-28 EP disclosed
EP-3286183-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES Cellcentric Ltd (GB) 2018-02-28 EP disclosed
EP-3286188-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES Cellcentric Ltd (GB) 2018-02-28 EP disclosed
WO-2016170324-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2016-10-27 WO disclosed
WO-2016170324-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2016-10-27 WO disclosed
WO-2016170323-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2016-10-27 WO disclosed
CN-1221851-C Silver halide photographic material FUJI PHOTO FILM CO LTD (JP) 2005-10-05 CN 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 (3 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-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES EP300, HDAC3, HDAC1 NPC1 1768/4885RAB9A 2083/4885SMN1; SMN2 3712/4885
US-10428065-B2 Isoxazolyl substituted imidazopyridines EP300, HDAC3, HDAC1 NPC1 1153/4885RAB9A 1458/4885SMN1; SMN2 3154/4885
US-10118920-B2 Isoxazolyl substituted benzimidazoles EP300, HDAC3, HDAC1 NPC1 1768/4885RAB9A 2083/4885SMN1; SMN2 3712/4885

“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.