SCHEMBL3743604

SCHEMBL3743604

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nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.38
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
OR51E2 Q9H255 1/20 0.35
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ASAH1 Q13510 1/20 0.33
TGFBR1 P36897 2/20 0.32
MME P08473 3/20 0.32
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL16468486 1.00 PAX8 (0.38) PAX8CYP2D6CYP2C19TDP1OR51E2
SCHEMBL25173479 1.00 PAX8 (0.38) PAX8CYP2D6CYP2C19TDP1OR51E2
SCHEMBL20572594 1.00 PAX8 (0.38) PAX8CYP2D6CYP2C19TDP1OR51E2
SCHEMBL3743599 1.00 PAX8 (0.38) PAX8CYP2D6CYP2C19TDP1OR51E2
SCHEMBL1261511 0.83 CNR1 (0.39) PAX8CYP2D6CYP2C19OR51E2TGFBR1
SCHEMBL1120240 0.83 CNR1 (0.39) PAX8CYP2D6CYP2C19OR51E2TGFBR1
SCHEMBL16648831 0.83 CNR1 (0.39) PAX8CYP2D6CYP2C19OR51E2TGFBR1
SCHEMBL16165794 0.81 CYP2D6 (0.36) CYP2D6CYP2C19TP53MEN1KMT2A
SCHEMBL12177590 0.81 MAPT (0.45) PAX8CYP2D6CYP2C19TDP1TP53
SCHEMBL18823386 0.81 MAPT (0.45) PAX8CYP2D6CYP2C19TDP1TP53

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-8309599-B2 Synthesis of FR901464 and analogs with antitumor activity UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-11-13 US disclosed
US-7825267-B2 Synthesis of FR901464 and analogs with antitumor activity UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-11-02 US disclosed
WO-2009031999-A1 FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY AND METHOD FOR THEIR PREPARATION UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-03-12 WO disclosed
US-20080096879-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY UNIVERSITY OF PITTSBURGH-- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2008-04-24 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 (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-20080096879-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY RBM17, SF3B1, RTCB PAX8 4576/4885CYP2D6 4069/4885CYP2C19 4481/4885

“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.