SCHEMBL4390136

SCHEMBL4390136

ClCc1nc2ccc(Cl)cc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 2/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
ALOX12 P18054 1/20 0.53
HTT P42858 1/20 0.53
APP P05067 2/20 0.46
DYRK1A Q13627 1/20 0.46
FSCN1 Q16658 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
PTPN1 P18031 1/20 0.45
AKR1B1 P15121 2/20 0.43
AKR1A1 P14550 1/20 0.43

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
SCHEMBL11328940 0.87 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL30471048 0.85 LOXL2 (0.72) NPC1RAB9ASMN1; SMN2GAALOXL2
SCHEMBL201922 0.85 LOXL2 (0.72) NPC1RAB9ASMN1; SMN2GAALOXL2
SCHEMBL30513863 0.84 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL28672134 0.84 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL3242364 0.84 LOXL2 (0.75) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL5358557 0.84 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL16655049 0.84 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL28125037 0.84 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL30731307 0.83 DRD2 (0.54) NPC1RAB9ASMN1; SMN2MAPTKMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
CN-1420882-A Substd. oxoazaheterocyclyl compounds AVENTIS PHARM PROD INC (US) 2003-05-28 CN disclosed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
CN-1291892-A Substituted oxoazaheterocyclyl factor Xa inhibitors AWENTIS PHARMACEUTICAL INC (US) 2001-04-18 CN disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO disclosed
US-4877878-A 2-azolylmethyl-2-aryl-1,3-dioxolanes and the salts thereof, processes for the preparation thereof, agents containing same, and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-31 US disclosed
US-4818758-A FUNGICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-04 US disclosed
EP-0237964-A2 2-Azolylmethyl-2-aryl-1,3-dioxolanes and their salts, processes for their preparation, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-23 EP 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 NPC1 2223/4885RAB9A 1986/4885SMN1; SMN2 4142/4885

“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.