SCHEMBL7045535

SCHEMBL7045535

O=[N+]([O-])c1cs[c]c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 5/20 0.47
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
LMNA P02545 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOA P21397 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
CASP7 P55210 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4845846 0.73 ALDH1A1 (0.48) ALDH1A1TDP1CRHBPCRHR2LMNA
SCHEMBL3459005 0.72 TDP1 (0.38) ALDH1A1TDP1KMT2AMEN1HSD17B10
Biphenyl SCHEMBL27480125 0.69 ALDH1A1 (0.71) ALDH1A1TDP1CRHBPCRHR2LMNA
SCHEMBL4375603 0.69 ALDH1A1 (0.53) ALDH1A1TDP1CRHBPCRHR2LMNA
SCHEMBL10471334 0.67 CYP2A6 (0.38) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL7046965 0.67 BACE1 (0.39) ALDH1A1TDP1LMNAKMT2AMEN1
SCHEMBL8049697 0.67
Benzene SCHEMBL27733069 0.66 ALDH1A1 (0.65) ALDH1A1TDP1CRHBPCRHR2LMNA
SCHEMBL30196067 0.65 ALDH1A1 (1.00) ALDH1A1TDP1CRHBPCRHR2KMT2A
SCHEMBL44392 0.65 ALDH1A1 (1.00) ALDH1A1TDP1CRHBPCRHR2KMT2A

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 ALDH1A1 151/4885TDP1 2968/4885CRHBP 3270/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF ALDH1A1 281/4885TDP1 3820/4885CRHBP 3082/4885

“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.