SCHEMBL7045155

SCHEMBL7045155

[c]1sccc1-c1ccccc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2A6 P11509 2/20 0.37
HPGD P15428 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MAPK1 P28482 1/20 0.37
PTGS2 P35354 1/20 0.34
BACE1 P56817 1/20 0.33
DPP4 P27487 1/20 0.33
GPR55 Q9Y2T6 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP2B6 P20813 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32
SLC6A4 P31645 1/20 0.32
BCAT2 O15382 2/20 0.32

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
SCHEMBL2717365 0.75 ALDH1A1 (0.36) ALDH1A1MAPK1NISCHDCUN1D1
SCHEMBL7046449 0.71 ESR2 (0.42) ALDH1A1HSD17B10HPGDMAPK1
SCHEMBL2201792 0.71 APP (0.48) ALDH1A1HSD17B10HPGDPTGS2DCUN1D1
SCHEMBL2088109 0.71 HSD11B1 (0.40) ALDH1A1HSD17B10HPGDMAPK1TDP1
SCHEMBL21447 0.71 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
SCHEMBL2361430 0.71 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
Benzene SCHEMBL28035419 0.71 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
SCHEMBL3323756 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
SCHEMBL3955405 0.68 FABP3 (0.44) ALDH1A1HPGD
Biphenyl SCHEMBL1994657 0.68 ALDH1A1 (0.69) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 US claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
US-6489324-B2 TREATING STROKE, ARHTRITIS, CANCER, TISSUE ULCERATION, DECUBITIS ULCER, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS, PSORIASIS, AIDS, SEPSIS, AND SEPTIC SHOCK. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-03 US claimed
US-6333324-B1 FOR THERAPY AND PROPHYLAXIS OF MATRIX METALLOPROTEINASES (MMP) OR TUMOR NECROSIS FACTOR .ALPHA. (TNF.ALPHA.), MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-25 US claimed
EP-0948489-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 EP claimed
WO-1998027069-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-25 WO claimed

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-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF ALDH1A1 281/4885HSD17B10 451/4885CYP2A6 850/4885

“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.