SCHEMBL7449457

SCHEMBL7449457

N#Cc1ccc(-c2ccccc2-c2ccsc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2B6 P20813 1/20 0.44
KDM1A O60341 1/20 0.43
PTPRC P08575 1/20 0.42
PTGS1 P23219 1/20 0.41
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
ALDH1A1 P00352 1/20 0.41
AR P10275 1/20 0.40
MAOB P27338 3/20 0.40
TSHR P16473 1/20 0.40
MAOA P21397 1/20 0.40
CYP11B2 P19099 1/20 0.40
SCN9A Q15858 1/20 0.39
LRRK2 Q5S007 1/20 0.38
MMP3 P08254 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL7449184 0.83 CYP2A6 (0.47) CYP2E1CYP2A6CYP2B6KDM1APTPRC
SCHEMBL6013341 0.83 CYP2A6 (0.52) CYP2E1CYP2A6CYP2B6KDM1APTGS1
SCHEMBL31463164 0.82 TSHR (0.57) CYP2A6PTGS1ALDH1A1MAOBTSHR
SCHEMBL4946960 0.80 CYP2A6 (0.64) CYP2E1CYP2A6CYP2B6PTPRCADORA1
SCHEMBL3422469 0.78 TSHR (0.59) MAOBTSHRMAOACYP11B2MMP3
SCHEMBL7058734 0.78 CYP2A6 (0.70) CYP2E1CYP2A6CYP2B6PTPRCADORA1
SCHEMBL10629429 0.78 ESR2 (0.52) CYP2E1CYP2A6CYP2B6PTPRCADORA1
Hydrogen Sulfide SCHEMBL27511889 0.77 TSHR (0.56) MAOBTSHRMAOACYP11B2MMP3
SCHEMBL27870289 0.77 CYP2A6 (0.67) CYP2E1CYP2A6CYP2B6PTPRCADORA1
SCHEMBL10584567 0.73 TSHR (0.46) CYP2A6PTGS1ALDH1A1ARMAOB

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
EP-1001930-B1 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2002-12-04 EP disclosed
US-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases DAVIDSEN STEVEN K (US) 2002-01-17 US disclosed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US disclosed
US-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 US disclosed
EP-1001930-A2 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES Abbott Laboratories (US) 2000-05-24 EP disclosed
WO-1999006361-A2 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 1999-02-11 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 (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-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases MMP1, MMP9, MMP3 CYP2E1 1136/4885CYP2A6 1449/4885CYP2B6 1856/4885

“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.