SCHEMBL719276

SCHEMBL719276

Cc1c(C(=O)C(C)C)oc2ccc(Br)cc12

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.63
CASP6 P55212 1/20 0.59
RAB9A P51151 10/20 0.58
NPC1 O15118 6/20 0.58
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL720361 0.83 POLB (0.49) KCNH2CASP6RAB9ANPC1LMNA
SCHEMBL3617512 0.83 MCL1 (0.67) KCNH2CASP6RAB9ANPC1TDP1
SCHEMBL23665874 0.82 MCL1 (0.70) KCNH2RAB9AKMT2ARXFP1KDM4E
SCHEMBL718725 0.82 RAB9A (0.54) KCNH2RAB9ANPC1LMNAMAPT
SCHEMBL30933195 0.82 RAB9A (0.54) KCNH2RAB9ANPC1LMNAMAPT
SCHEMBL13787073 0.81 CASP6 (0.62) KCNH2CASP6RAB9ANPC1TDP1
SCHEMBL30790774 0.79 TDP1 (0.64) KCNH2CASP6RAB9ANPC1TDP1
SCHEMBL717905 0.79 KCNH2 (0.67) KCNH2CASP6RAB9ANPC1TDP1
SCHEMBL879305 0.78 KCNH2 (0.59) KCNH2RAB9ANPC1LMNAKMT2A
SCHEMBL718514 0.77 MCL1 (0.43) KCNH2CASP6RAB9ANPC1KMT2A

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-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
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KCNH2 2392/4885CASP6 831/4885RAB9A 2454/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KCNH2 2392/4885CASP6 831/4885RAB9A 2454/4885

“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.