SCHEMBL7033804

SCHEMBL7033804

S=[C]Cc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.57
CYP2C19 P33261 3/20 0.57
CYP2C9 P11712 1/20 0.57
TDP1 Q9NUW8 2/20 0.52
HPGD P15428 2/20 0.50
ACP3 P15309 1/20 0.50
HTT P42858 1/20 0.50
CYP2D6 P10635 2/20 0.48
ABCB11 O95342 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NR3C1 P04150 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ALOX15 P16050 1/20 0.44
ADRA2C P18825 1/20 0.44
MAOA P21397 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL2858430 0.82 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9TDP1HPGD
SCHEMBL2858432 0.82 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9TDP1HPGD
SCHEMBL6176844 0.78 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9TDP1HPGD
SCHEMBL30559660 0.78 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9TDP1HPGD
SCHEMBL1611986 0.78 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9TDP1HPGD
SCHEMBL146603 0.78 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9TDP1HPGD
SCHEMBL182660 0.78 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9TDP1HPGD
SCHEMBL367154 0.78 TDP1 (0.47) CYP1A2CYP2C19CYP2C9TDP1HPGD
SCHEMBL28689862 0.78 TDP1 (0.47) CYP1A2CYP2C19CYP2C9TDP1HPGD
SCHEMBL27869707 0.77 CYP1A2 (0.50) CYP1A2CYP2C19CYP2C9TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030100605-A1 Methods of treating cancer with angiogenesis inhibitors GRUPP STEPHAN A (US) 2003-05-29 US disclosed
US-6017954-A ANGIOGENESIS INHIBITORS FOR TREATING AND PREVENTING ANGIOGENESIS-DEPENDENT TUMORS, ESPECIALLY KAPOSI'S SARCOMA, BREAST CANCER, COLON CANCER CHILDREN'S MEDICAL CENTER CORP. (US) 2000-01-25 US disclosed
US-5698586-A ADMINISTERING AN O-SUBSTITUTED FUMAGILLOL TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1997-12-16 US disclosed
EP-0359036-B1 Fumagillol derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-03-26 EP disclosed
EP-0682020-A1 Fumagillol derivatives useful as angiogenesis inhibitors Takeda Chemical Industries, Ltd. (JP) 1995-11-15 EP disclosed
EP-0357061-B1 Angiogenesis inhibitory agent TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-06-08 EP disclosed
US-5290807-A Antiinflammatory agents CHILDREN'S MEDICAL CENTER CORPORATION (US) 1994-03-01 US disclosed
US-5180738-A Angiogenesis Inhibitors TAKEDA CHEMICAL INDUSTRIES (JP) 1993-01-19 US disclosed
US-5166172-A Angiogenesis inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-24 US disclosed
US-5164410-A Fumagillol derivatives and pharmaceutical compositions thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-17 US disclosed
US-5047397-A Natriuretics, diuretics, vasodilators CALIFORNIA BIOTECHNOLOGY INC. (US) 1991-09-10 US disclosed
EP-0410989-A4 CYCLIC ANALOGS OF ATRIAL NATRIURETIC PEPTIDES 1991-06-05 EP disclosed
EP-0410989-A1 CYCLIC ANALOGS OF ATRIAL NATRIURETIC PEPTIDES CALIFORNIA BIOTECHNOLOGY, INC. (US) 1991-02-06 EP disclosed
US-4935492-A Cyclic analogs of atrial natriuretic peptides CALIFORNIA BIOTECHNOLOGY INC. (US) 1990-06-19 US disclosed
EP-0359036-A1 Fumagillol derivatives Takeda Chemical Industries, Ltd. (JP) 1990-03-21 EP disclosed
EP-0357061-A1 Angiogenesis inhibitory agent Takeda Chemical Industries, Ltd. (JP) 1990-03-07 EP disclosed
WO-1989009611-A1 CYCLIC ANALOGS OF ATRIAL NATRIURETIC PEPTIDES CALIFORNIA BIOTECHNOLOGY INC. (US) 1989-10-19 WO disclosed
EP-0323740-A2 Linear analogs of atrial natriuretic peptides CALIFORNIA BIOTECHNOLOGY, INC. (US) 1989-07-12 EP disclosed
WO-1989005654-A1 LINEAR ANALOGS OF ATRIAL NATRIURETIC PEPTIDES CALIFORNIA BIOTECHNOLOGY INC. (US) 1989-06-29 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-20030100605-A1 Methods of treating cancer with angiogenesis inhibitors VEGFA, FLT4, HIF1AN CYP1A2 4791/4885CYP2C19 4873/4885CYP2C9 4878/4885

“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.