SCHEMBL3196705

SCHEMBL3196705

CC(=N)Nc1ccc2sc(-c3ccccc3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
NQO2 P16083 1/20 0.43
PDGFRB P09619 6/20 0.42
KDR P35968 6/20 0.42
HDAC1 Q13547 3/20 0.42
APP P05067 2/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
F9 P00740 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL3183267 0.88 ESRRG (0.44) ESR1ESR2NQO2HSD17B1HSD17B2
SCHEMBL3202698 0.88 CNR1 (0.42) ESR1ESR2NQO2PDGFRBKDR
SCHEMBL3190477 0.86 HDAC6 (0.41) ESR1ESR2PDGFRBKDRHDAC1
SCHEMBL3194172 0.86 HDAC6 (0.41) ESR1PDGFRBKDRHDAC1APP
SCHEMBL3194962 0.86 HDAC6 (0.45) HSD17B1HSD17B2F9HDAC6TP53
SCHEMBL3203960 0.84 HDAC6 (0.56) APPF9HDAC6TP53MAPT
SCHEMBL3201324 0.81 EIF2AK2 (0.41) PDGFRBKDRHDAC1HDAC6TP53
SCHEMBL3191971 0.81 PDGFRB (0.44) PDGFRBKDR
SCHEMBL3201137 0.81 PDGFRB (0.45) PDGFRBKDR
SCHEMBL3204255 0.79 HDAC6 (0.44) PDGFRBKDRAPPHDAC6TP53

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 ESR1 2100/4885ESR2 1217/4885NQO2 422/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 ESR1 2100/4885ESR2 1217/4885NQO2 422/4885

“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.