SCHEMBL3398376

SCHEMBL3398376

Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)oc2ccc(Br)nc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.35
TEAD4 Q15561 1/20 0.34
GCG P01275 8/20 0.33
HDAC6 Q9UBN7 5/20 0.31
HPGD P15428 1/20 0.31
AKR1C3 P42330 2/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30

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
SCHEMBL720175 0.94 MEN1 (0.34) RCE1TEAD4GCG
SCHEMBL10249215 0.92 RCE1 (0.32) RCE1TEAD4
SCHEMBL720388 0.92 MEN1 (0.35) RCE1TEAD4
SCHEMBL10284580 0.91 RCE1 (0.34) RCE1TEAD4
SCHEMBL13552382 0.91 RCE1 (0.34) RCE1TEAD4GCGHPGDAKR1C3
SCHEMBL721650 0.90 GCG (0.37) RCE1TEAD4GCGHPGDITGB3
SCHEMBL719113 0.86 RCE1 (0.46) RCE1TEAD4HDAC6
SCHEMBL718447 0.86 GCG (0.46) GCG
SCHEMBL3400480 0.86 RCE1 (0.45) RCE1TEAD4GCGHDAC6HPGD
SCHEMBL716365 0.83 NPC1 (0.40) RCE1TEAD4HPGD

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
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RCE1 2661/4885TEAD4 253/4885GCG 35/4885

“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.