SCHEMBL3985293

SCHEMBL3985293

COC(=O)COc1cc(Br)c(Oc2ccc3[nH]c(-c4nc(C)oc4C)nc3c2)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDE3B Q13370 4/20 0.35
PDE3A Q14432 4/20 0.35
P2RY12 Q9H244 4/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 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
SCHEMBL3984721 0.91 KMT2A (0.38) SMN1; SMN2KDM4EMAPTMEN1KMT2A
SCHEMBL3981285 0.81 EGLN1 (0.38) FLT3THRATHRB
SCHEMBL4295203 0.79 THRB (0.34) THRATHRB
SCHEMBL3980351 0.76 PIN1 (0.32) THRATHRB
SCHEMBL3980346 0.74 PIN1 (0.33) THRATHRB
SCHEMBL3984716 0.72 EGLN1 (0.38) SMN1; SMN2MAPTTP53CHEK2THRA
SCHEMBL3133337 0.68 SMN1; SMN2 (0.43) SMN1; SMN2TSHRKDM4EMEN1KMT2A
SCHEMBL3989613 0.67 THRB (0.41) KDM4EMAPTPDE3BPDE3AP2RY12
SCHEMBL7120908 0.65 ALDH1A1 (0.45) SMN1; SMN2KDM4EMAPTMEN1KMT2A
SCHEMBL31154193 0.65 MEN1 (0.42) SMN1; SMN2KDM4EMAPTMEN1KMT2A

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 5 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-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 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
EP-2024336-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2009-02-18 EP disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 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-20090318514-A1 Novel Pharmaceutical Compositions TSHR, TRHR, THRA SMN1; SMN2 4396/4885TSHR 1/4885KDM4E 1775/4885

“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.