SCHEMBL3202698

SCHEMBL3202698

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.42
ESR1 P03372 3/20 0.40
ESRRG P62508 3/20 0.40
IKBKB O14920 1/20 0.40
ESR2 Q92731 2/20 0.40
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ABL1 P00519 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
EIF2AK2 P19525 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NQO2 P16083 1/20 0.36
JAK2 O60674 1/20 0.36
PDGFRB P09619 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
SCHEMBL3194172 0.88 HDAC6 (0.41) CNR1ESR1ESRRGHDAC6EIF2AK2
SCHEMBL3196705 0.88 ESR1 (0.44) ESR1ESR2HDAC6HSD17B1HSD17B2
SCHEMBL3183267 0.85 ESRRG (0.44) CNR1ESR1ESRRGESR2HDAC6
SCHEMBL3201324 0.84 EIF2AK2 (0.41) CNR1ABL1HDAC6EIF2AK2NPC1
SCHEMBL3194962 0.83 HDAC6 (0.45) CNR1IKBKBHDAC6HSD17B1HSD17B2
SCHEMBL3190477 0.81 HDAC6 (0.41) ESR1ESRRGIKBKBESR2HDAC6
SCHEMBL3191971 0.79 PDGFRB (0.44) CNR1CYP1A1CYP1B1EIF2AK2PDGFRB
SCHEMBL3203960 0.79 HDAC6 (0.56) CNR1IKBKBHDAC6NPC1POLB
SCHEMBL3198795 0.78 RAB9A (0.51) ABL1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL3201137 0.73 PDGFRB (0.45) ESRRGPDGFRBKDR

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 CNR1 74/4885ESR1 2100/4885ESRRG 1911/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 CNR1 74/4885ESR1 2100/4885ESRRG 1911/4885

“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.