SCHEMBL3493048

SCHEMBL3493048

CNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC2(CC1)CC(=O)c1cc(C#N)ccc1S2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.48
ACACA Q13085 14/20 0.48
TSHR P16473 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30
MAPK14 Q16539 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
SCHEMBL3493044 1.00 ACACB (0.48) ACACBACACATSHRCYP1A2ALDH1A1
SCHEMBL3493774 0.92 ACACB (0.49) ACACBACACA
SCHEMBL3493771 0.92 ACACB (0.49) ACACBACACA
SCHEMBL3493094 0.90 ACACB (0.39) ACACBACACATSHRCYP1A2CYP3A4
SCHEMBL3493096 0.90 ACACB (0.39) ACACBACACATSHRCYP1A2CYP3A4
SCHEMBL3491551 0.89 ACACB (0.40) ACACBACACATSHRCYP1A2ALDH1A1
SCHEMBL3491550 0.89 ACACB (0.40) ACACBACACATSHRCYP1A2ALDH1A1
SCHEMBL3494529 0.87 ACACB (0.52) ACACBACACA
SCHEMBL3494526 0.87 ACACB (0.52) ACACBACACA
SCHEMBL3494572 0.86 SMN1; SMN2 (0.33) ACACBACACAALDH1A1MAPK1

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 1/4885TSHR 3339/4885

“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.