SCHEMBL3492147

SCHEMBL3492147

Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3c(NC(N)=O)sc4nc(C)ccc34)CC1)S2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.41
ACACA Q13085 16/20 0.41
NPC1 O15118 2/20 0.33
USP2 O75604 2/20 0.33
TP53 P04637 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.31
IKBKB O14920 1/20 0.31
LIMK1 P53667 1/20 0.31

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
SCHEMBL3492142 1.00 ACACB (0.41) ACACBACACANPC1USP2TP53
SCHEMBL3491825 0.93 ACACB (0.41) ACACBACACAMAPTIKBKBLIMK1
SCHEMBL3491829 0.93 ACACB (0.41) ACACBACACAMAPTIKBKBLIMK1
SCHEMBL3490886 0.92 ACACB (0.41) ACACBACACAMAPT
SCHEMBL3490888 0.92 ACACB (0.41) ACACBACACAMAPT
SCHEMBL3494892 0.91 ACACB (0.40) ACACBACACANPC1TP53RAB9A
SCHEMBL3494893 0.91 ACACB (0.40) ACACBACACANPC1TP53RAB9A
SCHEMBL3494509 0.90 ACACB (0.42) ACACBACACANPC1RAB9AMAPT
SCHEMBL3494505 0.90 ACACB (0.42) ACACBACACANPC1RAB9AMAPT
SCHEMBL3491727 0.90 ACACB (0.34) ACACBACACANPC1USP2TP53

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 1/4885NPC1 1194/4885

“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.