SCHEMBL7046728

SCHEMBL7046728

[c]1scc(Oc2ccccc2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.39
TSHR P16473 2/20 0.39
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
HRH1 P35367 1/20 0.33
CTNNB1 P35222 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A3 Q01959 1/20 0.33
RIPK1 Q13546 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL2097488 0.76 LTA4H (0.41) LTA4HTSHRLMNAGAAKMT2A
SCHEMBL2091154 0.69 TSHR (0.42) LTA4HTSHRNCOA1NCOA3LMNA
SCHEMBL7046965 0.68 BACE1 (0.39) LMNAGAAKMT2ANPC1RAB9A
SCHEMBL10471334 0.68 CYP2A6 (0.38) TSHRLMNAKMT2AALDH1A1HPGD
SCHEMBL10747898 0.68 LTA4H (0.41) LTA4HTSHRNCOA1NCOA3LMNA
Biphenyl SCHEMBL10754506 0.66 TSHR (0.55) LTA4HTSHRNCOA1NCOA3LMNA
SCHEMBL442882 0.66 LTA4H (0.55) LTA4HTSHRLMNAGAAKMT2A
SCHEMBL51822 0.65 LTA4H (0.69) LTA4HTSHRLMNAGAAKMT2A
Diphenylether SCHEMBL432857 0.65 LTA4H (0.80) LTA4HTSHRNPC1RAB9AALDH1A1
Diphenylether SCHEMBL30478396 0.64 LTA4H (0.92) LTA4HTSHRKMT2ANPC1RAB9A

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 LTA4H 443/4885TSHR 1849/4885NCOA1 1178/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF LTA4H 371/4885TSHR 1688/4885NCOA1 1722/4885

“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.