SCHEMBL3490732

SCHEMBL3490732

Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3c(NC(N)=O)sc4ncccc34)CC1)S2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.40
ACACA Q13085 14/20 0.40
CHEK1 O14757 1/20 0.33
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
CYP46A1 Q9Y6A2 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3490730 1.00 ACACB (0.40) ACACBACACACHEK1ATMNPC1
SCHEMBL3494669 0.94 ACACB (0.40) ACACBACACAATMNPC1LMNA
SCHEMBL3494665 0.94 ACACB (0.40) ACACBACACAATMNPC1LMNA
SCHEMBL3492828 0.89 ACACB (0.52) ACACBACACA
SCHEMBL3492830 0.89 ACACB (0.52) ACACBACACA
SCHEMBL3492147 0.89 ACACB (0.41) ACACBACACANPC1RAB9AMAPT
SCHEMBL3492142 0.89 ACACB (0.41) ACACBACACANPC1RAB9AMAPT
SCHEMBL13340541 0.88 ACACB (0.39) ACACBACACAATM
SCHEMBL3492877 0.88 ATM (0.33) ACACBACACAATMNPC1RAB9A
SCHEMBL3491727 0.85 ACACB (0.34) ACACBACACANPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B ACACB 5/4885ACACA 1/4885CHEK1 945/4885

“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.