SCHEMBL3029599

SCHEMBL3029599

CC(C)(C)C(Cc1cc(Sc2ccc(Cl)nc2)n(-c2ccccc2Cl)n1)NC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 12/20 0.37
SLC16A1 P53985 11/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 1/20 0.32
FPR1 P21462 1/20 0.32
RIPK1 Q13546 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PDE4B Q07343 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
GCK P35557 1/20 0.32
P2RY1 P47900 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL3814311 0.92 RIPK1 (0.36) SLC16A3SLC16A1RIPK1
SCHEMBL3709565 0.92 CTSA (0.36) SLC16A3SLC16A1RIPK1
SCHEMBL3703720 0.89 KCNQ3 (0.31)
SCHEMBL3692814 0.89 SCN9A (0.35) SLC16A3SLC16A1
SCHEMBL3703229 0.88 SLC16A3 (0.32) SLC16A3SLC16A1
SCHEMBL3700535 0.88 KCNQ3 (0.31) SLC16A3SLC16A1ALDH1A1
SCHEMBL4194768 0.88 RXRA (0.31) SLC16A3SLC16A1
SCHEMBL3701900 0.88 SLC16A3 (0.37) SLC16A3SLC16A1MEN1KMT2ACNR1
SCHEMBL3695015 0.86 DHODH (0.30)
SCHEMBL3812496 0.86 KCNQ3 (0.33) RIPK1

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-8334301-B2 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-18 US disclosed
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 US 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-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND NPY4R, NPY5R, NPY1R SLC16A3 1496/4885SLC16A1 2457/4885MEN1 3284/4885

“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.