SCHEMBL1624199

SCHEMBL1624199

O=C1N=C(c2ccc(-c3ccccc3)cc2)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
CTRC Q99895 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
TDP2 O95551 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 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
SCHEMBL5459942 0.96 ALDH1A1 (0.48) ALDH1A1MAPTGAALMNATSHR
SCHEMBL11296183 0.80 PTGS2 (0.40) ALDH1A1MAPTTDP2PTGS2KDM4E
SCHEMBL5260781 0.73 ALDH1A1 (0.37) ALDH1A1MAPTGAALMNATSHR
SCHEMBL20298909 0.68 KDR (0.38) KMT2ATYRO3NTRK2CLK4DYRK1B
SCHEMBL4633787 0.66 MAPT (0.44) ALDH1A1MAPTGAALMNATSHR
Biphenyl SCHEMBL8484559 0.64 GSK3B (0.79) ALDH1A1MAPTGAALMNAMAOA
SCHEMBL8809436 0.64 MAPT (0.39) ALDH1A1MAPTGAALMNATSHR
SCHEMBL91967 0.64 PTGS2 (0.48) ALDH1A1MAOAMAOBCTRCSIRT2
SCHEMBL7754290 0.64 PTGS2 (0.48) ALDH1A1MAOAMAOBCTRCSIRT2
SCHEMBL827097 0.63 ALDH1A1 (0.90) ALDH1A1MAPTGAALMNATSHR

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-7928137-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2011-04-19 US disclosed
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN W 2007-07-05 US disclosed
US-7220781-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2007-05-22 US disclosed
EP-1009758-B1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2005-06-01 EP disclosed
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-6740682-B2 TREATMENT OF THROMBOTIC DISEASES, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY. TULARIK LIMITED (GB) 2004-05-25 US disclosed
US-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-05-09 US 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 (3 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-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 ALDH1A1 3629/4885MAPT 4160/4885GAA 548/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN ALDH1A1 4419/4885MAPT 4067/4885GAA 575/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 ALDH1A1 3629/4885MAPT 4160/4885GAA 548/4885

“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.