SCHEMBL3183267

SCHEMBL3183267

CC(=N)Nc1ccc2sc(-c3cccc(F)c3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 7/20 0.44
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ESR1 P03372 3/20 0.40
ESR2 Q92731 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CNR1 P21554 1/20 0.40
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
NQO2 P16083 1/20 0.36
JAK2 O60674 1/20 0.36
RIPK2 O43353 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL3190477 0.88 HDAC6 (0.41) ESRRGMAPTESR1ESR2HDAC6
SCHEMBL3196705 0.88 ESR1 (0.44) TP53MAPTESR1ESR2HDAC6
SCHEMBL3202698 0.85 CNR1 (0.42) ESRRGESR1ESR2HDAC6CNR1
SCHEMBL3194962 0.83 HDAC6 (0.45) TP53MAPTHDAC6CNR1HSD17B1
SCHEMBL3194172 0.81 HDAC6 (0.41) ESRRGMAPTESR1HDAC6CNR1
SCHEMBL3201324 0.79 EIF2AK2 (0.41) TP53MAPTHDAC6CNR1
SCHEMBL3203960 0.79 HDAC6 (0.56) TP53MAPTHDAC6CNR1
SCHEMBL3201137 0.79 PDGFRB (0.45) ESRRG
SCHEMBL3196621 0.78 MAPT (0.51) TP53MAPTCCNCCDK8TRPM8
SCHEMBL3191971 0.73 PDGFRB (0.44) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production MAKOVEC FRANCESCO 2010-05-13 US disclosed
US-7674809-B2 Anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM S.P.A. (IT) 2010-03-09 US disclosed
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA 2005-09-08 US disclosed
EP-1571142-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production Rottapharm S.p.A. (IT) 2005-09-07 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 (2 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-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production NOS3, NOS1, NOS2 ESRRG 1911/4885TP53 4810/4885MAPT 4542/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 ESRRG 1911/4885TP53 4810/4885MAPT 4542/4885

“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.