SCHEMBL7046965

SCHEMBL7046965

Oc1cs[c]c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 6/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 3/20 0.38
BCL2L1 Q07817 2/20 0.38
MMP3 P08254 1/20 0.36
ALOX5 P09917 2/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 4/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
LMNA P02545 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 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
SCHEMBL10471334 0.74 CYP2A6 (0.38) ALDH1A1HPGDSMN1; SMN2LMNAMEN1
SCHEMBL7046450 0.74 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTMAPK1
SCHEMBL7046728 0.68 LTA4H (0.39) ALDH1A1HPGDRAB9ALMNAKMT2A
SCHEMBL3619254 0.66 ALDH1A1 (0.44) BACE1ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL617580 0.61 ALDH1A1 (0.53) BACE1ALDH1A1HPGDHSD17B10BCL2L1
Biphenyl SCHEMBL28042419 0.61 ALDH1A1 (0.71) BACE1ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL6750319 0.61 KDM4E (0.32) KDM4EMAPTMAPK1SMN1; SMN2RAB9A
Biphenyl SCHEMBL28098924 0.59 ALDH1A1 (0.90) BACE1ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL31091243 0.59 CYP2A6 (0.56) BACE1ALDH1A1HPGDHSD17B10BCL2L1
Biphenyl SCHEMBL23211153 0.58 ALDH1A1 (0.69) BACE1ALDH1A1HPGDHSD17B10BCL2L1

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 BACE1 220/4885ALDH1A1 151/4885HPGD 66/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF BACE1 345/4885ALDH1A1 281/4885HPGD 61/4885

“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.