SCHEMBL14614520

SCHEMBL14614520

O=C1NC(c2ccc(Cl)cc2)=C2C(=O)NC(c3ccc(S)cc3)=C12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
PTGS2 P35354 1/20 0.44
GSK3B P49841 11/20 0.41
GSK3A P49840 1/20 0.38
RECQL P46063 1/20 0.38
TDP2 O95551 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
PPOX P50336 1/20 0.33

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
SCHEMBL91966 0.90 PTGS2 (0.50) PTGS2GSK3BGSK3ARECQLTDP2
SCHEMBL12509900 0.90 PTGS2 (0.32) IDO1PTGS2
SCHEMBL13222114 0.84 GSK3B (0.43) GSK3BGSK3ATDP2
SCHEMBL1557806 0.83 GSK3B (0.54) PTGS2GSK3BKDM4EGAAMAPT
SCHEMBL92072 0.81 CYP1A2 (0.56) PTGS2GSK3BTDP2KDM4EGAA
SCHEMBL21419776 0.81 GSK3B (0.58) PTGS2GSK3BGSK3ARECQLMAPT
SCHEMBL12577463 0.81 PTGS2 (0.44) PTGS2GSK3BGSK3ARECQLTDP2
SCHEMBL7753950 0.81 CYP2D6 (0.46) PTGS2GSK3BGSK3ARECQLALDH1A1
SCHEMBL12640594 0.81 PTGS2 (0.44) PTGS2GSK3BGSK3ARECQLTDP2
SCHEMBL14614527 0.81 PTGS2 (0.44) PTGS2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070028807-A1 Heat-stable diketopyrrolopyrrole pigment mixtures CIBA SPECIALTY CHEMICALS CORP. 2007-02-08 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 (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-20070028807-A1 Heat-stable diketopyrrolopyrrole pigment mixtures NDUFS5, CBR3, CYB5R3 IDO1 2271/4885PTGS2 3448/4885GSK3B 3986/4885

“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.