SCHEMBL4677044

SCHEMBL4677044

c1ccc(-c2cnc(C3CCNCC3)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
HPGDS O60760 3/20 0.51
MAP4K3 Q8IVH8 3/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
GABRA1 P14867 4/20 0.43
GABRB2 P47870 4/20 0.43
CHEK1 O14757 2/20 0.41
CDK7 P50613 1/20 0.41
KDR P35968 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL29786817 0.89 KDR (0.46) CHRNB2CHRNA4KDRSLC6A2SLC6A4
SCHEMBL26255820 0.85 KDR (0.44) MAP4K3KDRSLC6A2SLC6A4SLC6A3
SCHEMBL17151793 0.85 MAP4K3 (0.48) CHRNB2CHRNA4MAP4K3TLR9TLR8
SCHEMBL27742532 0.84 CHRNB2 (0.50) CHRNB2CHRNA4MAP4K3TLR9TLR8
SCHEMBL4677035 0.83 KDR (0.41) CHRNB2CHRNA4KDRSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL26976668 0.83 KDR (0.41) CHRNB2CHRNA4CHEK1CDK7KDR
SCHEMBL12879439 0.79 CHRNB2 (0.48) CHRNB2CHRNA4HPGDSMAP4K3MEN1
SCHEMBL15034717 0.79 XDH (0.49) CHRNB2CHRNA4MAP4K3TLR9TLR8
SCHEMBL28280545 0.79 PLAT (0.46) CHRNB2CHRNA4MAP4K3TLR9TLR8
SCHEMBL27911963 0.79 CHRNB2 (0.51) CHRNB2CHRNA4HPGDSMAP4K3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP disclosed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 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 (2 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 CHRNB2 4806/4885CHRNA4 4796/4885HPGDS 40/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CHRNB2 4822/4885CHRNA4 4784/4885HPGDS 44/4885

“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.