SCHEMBL7060779

SCHEMBL7060779

CC(=O)NNC(=O)c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.66
ALDH1A1 P00352 2/20 0.65
NPC1 O15118 2/20 0.65
MAPT P10636 1/20 0.65
HDAC1 Q13547 1/20 0.62
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
GAA P10253 3/20 0.59
TP53 P04637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TSHR P16473 1/20 0.57
HDAC3 O15379 1/20 0.57

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 0.90 RAB9A (0.78) RAB9AALDH1A1NPC1MAPTHDAC1
SCHEMBL8345583 0.85 RAB9A (0.62) RAB9AALDH1A1NPC1MAPTHDAC1
SCHEMBL3715561 0.82 HDAC1 (0.64) RAB9AALDH1A1NPC1MAPTHDAC1
SCHEMBL4739925 0.82 RAB9A (0.73) RAB9AALDH1A1NPC1MAPTHDAC1
SCHEMBL1724937 0.82 MAPT (0.67) RAB9AALDH1A1NPC1MAPTHDAC1
SCHEMBL17281185 0.82 RAB9A (0.58) RAB9AALDH1A1NPC1MAPTHDAC1
SCHEMBL9119580 0.81 MAPT (0.71) RAB9AALDH1A1NPC1MAPTHDAC1
SCHEMBL5540068 0.80 TSHR (0.61) RAB9AALDH1A1NPC1MAPTHDAC1
SCHEMBL27921512 0.80 CYP2C19 (0.69) RAB9AALDH1A1NPC1MAPTHDAC1
SCHEMBL7059348 0.79 RAB9A (1.00) RAB9AALDH1A1NPC1MAPTMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103351378-A Second-order nonlinear laser crystal N, N'-acetyl-(2-thenoyl) hydrazine crystal and preparation method and application thereof UNIV HUAQIAO 2013-10-16 CN disclosed
CN-103351378-A Second-order nonlinear laser crystal N, N'-acetyl-(2-thenoyl) hydrazine crystal and preparation method and application thereof UNIV HUAQIAO 2013-10-16 CN disclosed
US-20080214635-A1 Modulation of pathogenicity QUONOVA, LLC 2008-09-04 US disclosed
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

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-20080214635-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 RAB9A 4032/4885ALDH1A1 3159/4885NPC1 503/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF RAB9A 3610/4885ALDH1A1 281/4885NPC1 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.