SCHEMBL8738486

SCHEMBL8738486

O=C(c1no[n+]([O-])c1C(=O)c1csc2ccccc12)c1csc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 1.00
CATSPER1 Q8NEC5 2/20 0.52
HPGD P15428 7/20 0.51
HTT P42858 7/20 0.51
TP53 P04637 6/20 0.51
HSD17B10 Q99714 6/20 0.51
LMNA P02545 5/20 0.51
MAPT P10636 5/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
MAPK1 P28482 3/20 0.51
HSP90AA1 P07900 2/20 0.51
PTPN7 P35236 2/20 0.51
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
DUSP3 P51452 1/20 0.51
PTPN22 Q9Y2R2 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50

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
SCHEMBL11604346 0.73 CATSPER1 (0.59) ALDH1A1CATSPER1HPGDHTTTP53
SCHEMBL8242849 0.69 CATSPER1 (1.00) ALDH1A1CATSPER1HPGDHTTTP53
SCHEMBL8168101 0.69 CNR2 (0.63) ALDH1A1HPGDHTTTP53HSD17B10
SCHEMBL4792747 0.68 ALDH1A1 (1.00) ALDH1A1CATSPER1HPGDHTTTP53
SCHEMBL72502 0.66 HDAC3 (0.65) ALDH1A1HPGDHTTTP53HSD17B10
SCHEMBL14948955 0.65 CATSPER1 (0.82) ALDH1A1CATSPER1HPGDHTTTP53
SCHEMBL8370261 0.65 CATSPER1 (0.63) ALDH1A1CATSPER1HPGDHTTTP53
SCHEMBL24890391 0.65 HDAC3 (0.62) ALDH1A1HPGDHTTTP53HSD17B10
SCHEMBL3117193 0.65 HDAC3 (0.62) ALDH1A1HPGDHTTTP53HSD17B10
SCHEMBL645673 0.65 HDAC3 (0.62) ALDH1A1HPGDHTTTP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9504729-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-11-29 US disclosed
US-20160030508-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2016-02-04 US disclosed
US-9186365-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-17 US disclosed
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-05-24 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 (2 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-20160030508-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE VEGFA, FLT4, KDR ALDH1A1 1615/4885CATSPER1 2812/4885HPGD 1081/4885
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE VEGFA, FLT4, KDR ALDH1A1 1615/4885CATSPER1 2812/4885HPGD 1081/4885

“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.