SCHEMBL1624285

SCHEMBL1624285

CC1CCCCC1NC(=O)CN(C(=O)c1cc(C(=N)N)ccc1N)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
F2 P00734 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
PABPC1 P11940 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
JAK3 P52333 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
PLAU P00749 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TAS1R2 Q8TE23 1/20 0.36

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
SCHEMBL5623450 0.78 F2 (0.47) F2PLAU
SCHEMBL1624113 0.77 HDAC1 (0.51) HDAC1HDAC6F2PLAU
SCHEMBL1625059 0.76 F7 (0.48) F2MEN1KMT2AKDM4EALDH1A1
SCHEMBL1622154 0.76 ALDH1A1 (0.46) HDAC1HDAC6F2MEN1KMT2A
SCHEMBL1624379 0.74 TAS1R3 (0.43) MEN1KMT2AKDM4EPABPC1TAS1R3
SCHEMBL1624049 0.74 PLAU (0.45) F2MEN1KMT2AKDM4EALDH1A1
SCHEMBL1625128 0.73 KDM4E (0.48) HDAC1HDAC6F2KMT2AKDM4E
SCHEMBL1623001 0.69 KDM1A (0.44) F2PLAUNPSR1
SCHEMBL1624288 0.69 CCR2 (0.43)
SCHEMBL1624321 0.67 F10 (0.51) HDAC6F2MEN1KMT2AALDH1A1

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 HDAC1 949/4885HDAC6 2673/4885F2 113/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN HDAC1 1169/4885HDAC6 2592/4885F2 103/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 HDAC1 949/4885HDAC6 2673/4885F2 113/4885

“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.