SCHEMBL7449452

SCHEMBL7449452

N#Cc1ccc(-c2ccc(-c3cccs3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
KIF11 P52732 2/20 0.47
MMP3 P08254 1/20 0.47
CYP11B2 P19099 2/20 0.44
CYP17A1 P05093 1/20 0.44
CYP11B1 P15538 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL4344657 0.98 LTA4H (0.52) LTA4HKIF11MMP3CYP11B2CYP17A1
SCHEMBL28669772 0.89 ADORA2A (0.48) KIF11MMP3CYP11B2KDM4EALDH1A1
SCHEMBL28485840 0.88 HDAC2 (0.51) LTA4HCYP11B2CYP17A1CYP11B1KCNH2
4-(2,2'-Bithiophen-5-Yl)Benzonitrile SCHEMBL4344574 0.85 PRF1 (0.46) LTA4HKIF11KDM4EALDH1A1MEN1
SCHEMBL10964561 0.84 KDM1A (0.46) CYP11B2CYP11B1KDM4EALDH1A1MEN1
SCHEMBL10300217 0.83 LTA4H (0.53) LTA4HCYP11B2CYP17A1CYP11B1KCNH2
SCHEMBL7455134 0.82 LTA4H (0.67) LTA4HCYP11B2CYP17A1CYP11B1KCNH2
SCHEMBL10964644 0.81 KDM1A (0.47) CYP11B2CYP11B1KDM4EALDH1A1MEN1
SCHEMBL10300120 0.81 LTA4H (0.55) LTA4HCYP11B2CYP17A1CYP11B1KCNH2
SCHEMBL7438158 0.81 PRMT6 (0.50) LTA4HKCNH2ALDH1A1MEN1KMT2A

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
CN-111926389-A Bipolar organic single crystal grown by molecular blending, preparation method and application thereof 吉林大学 2020-11-13 CN claimed
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 LTA4H 483/4885KIF11 3968/4885MMP3 3/4885

“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.