SCHEMBL3596090

SCHEMBL3596090

O=C(OCc1ccccc1)c1ccc2c(ccn2Cc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
HDAC8 Q9BY41 6/20 0.51
HDAC6 Q9UBN7 6/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC1 Q13547 5/20 0.50
HDAC2 Q92769 5/20 0.50
HDAC10 Q969S8 4/20 0.50
HDAC3 O15379 4/20 0.50
PLAU P00749 3/20 0.50
PLG P00747 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL3595480 0.90 LMNA (0.51) LMNATDP1SLC6A2SLC6A3KMT2A
SCHEMBL7706207 0.86 PLAU (0.54) HDAC8HDAC6HDAC11HDAC1HDAC2
SCHEMBL3109875 0.86 HDAC6 (0.61) HDAC8HDAC6HDAC11HDAC1HDAC2
SCHEMBL30888879 0.84 PLAU (0.57) HDAC8HDAC6HDAC11HDAC1HDAC2
SCHEMBL15971036 0.84 PLAU (0.57) HDAC8HDAC6HDAC11HDAC1HDAC2
SCHEMBL23225464 0.83 TDP1 (0.53) LMNATDP1SLC6A2SLC6A3KMT2A
SCHEMBL5069169 0.82 PPARD (0.44) LMNATDP1SLC6A2SLC6A3KMT2A
SCHEMBL28247458 0.81 PLAU (0.62) HDAC8HDAC6HDAC11HDAC1HDAC2
SCHEMBL5068783 0.81 TDP1 (0.54) LMNATDP1SLC6A2SLC6A3KMT2A
SCHEMBL5066704 0.81 TDP1 (0.50) LMNATDP1SLC6A2SLC6A3KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
CN-101321726-A Novel fused pyrrole derivative DAINIPPON SUMITOMO PHARMA CO (JP) 2008-12-10 CN disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
CN-1067988-C Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 2001-07-04 CN disclosed
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
CN-1051301-C Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 2000-04-12 CN disclosed
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 CN disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
CN-1106800-A Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 1995-08-16 CN disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 LMNA 4335/4885TDP1 4244/4885SLC6A2 4559/4885

“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.