SCHEMBL1622028

SCHEMBL1622028

N=C(N)c1cccc(C(=O)N(CC(=O)NCc2cccc(C(F)(F)F)c2)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
F10 P00742 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
F2 P00734 2/20 0.46
F7 P08709 2/20 0.46
F3 P13726 2/20 0.46
MAPK14 Q16539 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MLYCD O95822 1/20 0.44
RAB9A P51151 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.43
PLA2G1B P04054 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL1624414 0.87 PKM (0.53) HDAC6F10F2RAB9AMEN1
SCHEMBL1622251 0.86 F10 (0.47) HDAC6F10F2CYP1A2CYP2D6
SCHEMBL1624612 0.85 NR1H4 (0.49) HDAC6F10F2ALDH1A1RAB9A
SCHEMBL1625575 0.85 F7 (0.52) HDAC6F10L3MBTL1F2F7
SCHEMBL1624473 0.84 PKM (0.49) HDAC6F10F2ALDH1A1RAB9A
SCHEMBL1623574 0.84 F2 (0.53) HDAC6F10F2CYP1A2CYP2D6
SCHEMBL1624128 0.82 F2 (0.49) HDAC6F10F2PKMHDAC1
SCHEMBL1624584 0.82 HDAC1 (0.47) HDAC6F10F2F7F3
SCHEMBL1622988 0.82 F2 (0.55) LMNAHDAC6F10F2ALDH1A1
SCHEMBL1624139 0.81 ST14 (0.48) HDAC6HDAC11HDAC8F10F2

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 9 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
EP-1009758-A1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-21 EP disclosed
WO-1999011658-A1 META-BENZAMIDINE DERIVATIVES AS SERIN PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 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 (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 LMNA 210/4885HDAC6 2673/4885HDAC11 1508/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN LMNA 196/4885HDAC6 2592/4885HDAC11 1734/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 LMNA 210/4885HDAC6 2673/4885HDAC11 1508/4885

“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.