SCHEMBL7059348

SCHEMBL7059348

O=C(NNC(=O)c1cccs1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 1.00
KMT2A Q03164 5/20 0.74
NPC1 O15118 3/20 0.73
ALDH1A1 P00352 3/20 0.73
MEN1 O00255 3/20 0.68
MAPT P10636 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.62
KCNK3 O14649 1/20 0.62
KCNK9 Q9NPC2 1/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.62
HPGDS O60760 1/20 0.61
TP53 P04637 1/20 0.61

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
SCHEMBL1858111 0.88 RAB9A (0.78) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL28564828 0.85 RAB9A (0.74) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL4739925 0.85 RAB9A (0.73) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL11887623 0.81 MEN1 (1.00) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL1862847 0.81 RAB9A (0.68) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL12857660 0.80 RAB9A (1.00) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL1859778 0.80 RAB9A (0.70) RAB9AKMT2ANPC1ALDH1A1MAPT
SCHEMBL1867069 0.80 RAB9A (0.73) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL400890 0.79 RAB9A (0.77) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL7060779 0.79 RAB9A (0.66) RAB9AKMT2ANPC1ALDH1A1MEN1

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 disclosed
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 disclosed
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 disclosed
EP-0948489-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 EP disclosed
WO-1998027069-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-25 WO disclosed
EP-0361645-A2 Organic hydrazine derivatives for pharmaceutical use ROHM AND HAAS COMPANY (US) 1990-04-04 EP disclosed

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 RAB9A 3610/4885KMT2A 1432/4885NPC1 3204/4885

“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.