SCHEMBL3743471

SCHEMBL3743471

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nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
EYA2 O00167 1/20 0.33
APP P05067 1/20 0.33
ACE P12821 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL18210162 0.84 TSHR (0.33) TDP1TSHR
SCHEMBL18210164 0.84 TSHR (0.33) TDP1TSHR
SCHEMBL435617 0.76 TDP1 (0.36) TDP1EYA2APPACEKDM4E
SCHEMBL3163527 0.76 CA12 (0.32) TDP1TSHRADRA1ADRD3SLC6A3
SCHEMBL2952762 0.76 TDP1 (0.38) TDP1
SCHEMBL2952760 0.76 TDP1 (0.38) TDP1
SCHEMBL16197622 0.72 CA1 (0.36) TSHR
SCHEMBL15589936 0.72 CA1 (0.36) TSHR
SCHEMBL9835163 0.71 TDP1 (0.36) TDP1EYA2APPACEKDM4E
SCHEMBL8593198 0.70

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-7829304-B2 Compounds and related methods for mutant p53 reactivation NORTHWESTERN UNIVERSITY (US) 2010-11-09 US disclosed
US-20080206805-A1 Compounds and Related Methods for Mutant p53 Reactivation APPELLA DANIEL H 2008-08-28 US disclosed
US-7329775-B2 Compounds and related methods for mutant p53 reactivation NORTHWESTERN UNIVERSITY (US) 2008-02-12 US disclosed
US-20050245616-A1 Compounds and related methods for mutant p53 reactivation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-03 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-20050245616-A1 Compounds and related methods for mutant p53 reactivation TP53, TP53BP1, MDM2 TDP1 299/4885EYA2 705/4885APP 2005/4885

“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.