SCHEMBL7046449

SCHEMBL7046449

N#Cc1ccccc1-c1[c]scc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
TSHR P16473 2/20 0.36
PTGES O14684 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
USP8 P40818 1/20 0.34
USP7 Q93009 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
PTPN5 P54829 1/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 4/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
MAPK1 P28482 1/20 0.32
PDK2 Q15119 1/20 0.31

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
SCHEMBL222 0.72 ESR2 (0.60) ESR2TSHRPTGESCA1CA2
SCHEMBL29412287 0.72 ESR2 (0.60) ESR2TSHRPTGESCA1CA2
SCHEMBL1202047 0.69 ESR2 (0.44) ESR2TSHRPTGESCA1CA2
SCHEMBL7417622 0.68 KDM4E (0.36) TSHRCA1CA2ALDH1A1CYP1A2
SCHEMBL2201792 0.67 APP (0.48) CA1CA2ALDH1A1CYP1A2CYP3A4
SCHEMBL1200619 0.66 ESR2 (0.41) ESR2TSHRPTGESCA1CA2
SCHEMBL8799027 0.65 KDM4E (0.47) ESR2ALDH1A1CYP1A2HSD17B10CLK4
SCHEMBL29669280 0.65 KDM4E (0.47) ESR2ALDH1A1CYP1A2HSD17B10CLK4
SCHEMBL223 0.65 ESR2 (0.69) ESR2TSHRGABRG2GABRB3GABRA5
SCHEMBL31410710 0.65 ESR2 (0.76) ESR2TSHRPTGESUSP8USP7

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
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-20020128270-A1 Piperazine compounds as inhibitors of MMP or TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-12 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 (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-20020128270-A1 Piperazine compounds as inhibitors of MMP or TNF MMP1, MMP2, TNF ESR2 738/4885TSHR 1849/4885PTGES 75/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF ESR2 686/4885TSHR 1688/4885PTGES 63/4885

“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.