SCHEMBL4131558

SCHEMBL4131558

CN(Cc1cc(-c2cccnc2F)c(Br)s1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
NAPRT Q6XQN6 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
DHODH Q02127 4/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
HSD17B2 P37059 2/20 0.33
TACR1 P25103 1/20 0.33
LIPG Q9Y5X9 2/20 0.33
LIPC P11150 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3649821 0.85 SSTR4 (0.38) ARTACR1
SCHEMBL3649827 0.83 NAPRT (0.32) NAPRTDHODHFFAR4
SCHEMBL4125110 0.81 AR (0.32) ARLMNARAB9ASMN1; SMN2L3MBTL1
SCHEMBL4125901 0.80 NAMPT (0.35) HDAC3HDAC4HDAC6DHODHTACR1
SCHEMBL4118030 0.80 DHODH (0.36) ARNAPRTHDAC3HDAC4HDAC6
SCHEMBL3654891 0.80 ATM (0.34) LMNALIPGLIPCALDH1A1
SCHEMBL4119122 0.79 AR (0.33) ARNAPRTHDAC3HDAC4HDAC6
SCHEMBL3799051 0.79 ALDH1A1 (0.35) ARHDAC3HDAC4HDAC6DHODH
SCHEMBL4127364 0.79 MAOA (0.36) HDAC3HDAC4HDAC6DHODHHSD17B2
SCHEMBL4117657 0.79 GPBAR1 (0.33) ARFFAR4LIPGLIPC

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
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 AR 4556/4885NAPRT 2758/4885HDAC3 595/4885

“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.