SCHEMBL3142133

SCHEMBL3142133

CCn1c(NC(C)=O)nc2ccc(Oc3c(Br)cc(CC(F)C(=O)O)cc3Br)cc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.38
RIPK1 Q13546 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRA P10827 6/20 0.36
THRB P10828 6/20 0.36
ACSS2 Q9NR19 3/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
NOD1 Q9Y239 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5135544 0.88 ACSS2 (0.37) POLBCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3137672 0.88 RAF1 (0.37) THRATHRBACSS2RAF1BRAF
SCHEMBL3140982 0.83 ACSS2 (0.37) THRATHRBACSS2RAF1BRAF
SCHEMBL3130577 0.83 ACSS2 (0.40) THRATHRBACSS2
SCHEMBL3142258 0.82 THRA (0.36) THRATHRBACSS2
SCHEMBL3131649 0.82 POLB (0.48) POLBCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3136098 0.82 ACSS2 (0.35) THRATHRBACSS2
SCHEMBL3128023 0.82 ACSS2 (0.35) THRATHRBACSS2
SCHEMBL3133600 0.81 ACSS2 (0.40) THRATHRBACSS2
SCHEMBL3127197 0.81 THRA (0.35) THRATHRBACSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO claimed
US-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 US disclosed
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR POLB 4754/4885CYP1A2 456/4885CYP2C9 866/4885

“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.