SCHEMBL8738469

SCHEMBL8738469

O=C1C(=Cc2cccnc2)SC(=S)N1Cc1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 1.00
MAPK1 P28482 4/20 1.00
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2C9 P11712 2/20 1.00
CYP2C19 P33261 2/20 1.00
MAPT P10636 11/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
GAA P10253 1/20 0.65
CYP2D6 P10635 1/20 0.65
HTT P42858 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
CRHBP P24387 2/20 0.64
CRHR2 Q13324 2/20 0.64
NLRP3 Q96P20 1/20 0.54
LMNA P02545 3/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL23036889 0.81 ALDH1A1 (0.68) ALDH1A1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL26458941 0.78 CRHBP (1.00) ALDH1A1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL10492222 0.77 MAPT (0.78) ALDH1A1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL10492217 0.77 MAPT (0.78) ALDH1A1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL1656525 0.76 MAPT (1.00) ALDH1A1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL1656522 0.76 MAPT (1.00) ALDH1A1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL1656524 0.76 MAPT (1.00) ALDH1A1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL26458909 0.72 MEN1 (1.00) ALDH1A1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL46219 0.72 ALDH1A1 (0.61) ALDH1A1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL8592041 0.72 MAPT (0.66) ALDH1A1MAPK1CYP1A2CYP3A4CYP2C9

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 1615/4885MAPK1 1861/4885CYP1A2 4831/4885
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE VEGFA, FLT4, KDR ALDH1A1 1615/4885MAPK1 1861/4885CYP1A2 4831/4885

“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.