SCHEMBL3202055

SCHEMBL3202055

O=[N+]([O-])c1ccc2sc(-c3ccccn3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
TSHR P16473 2/20 0.57
TP53 P04637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
APP P05067 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
MAPT P10636 2/20 0.53
METAP1 P53582 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TDP1 Q9NUW8 2/20 0.48
MIF P14174 1/20 0.48
GABRA1 P14867 1/20 0.48

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
SCHEMBL2141665 0.82 APP (0.69) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL23954341 0.79 KDM4E (0.77) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8040079 0.79 KDM4E (0.66) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL19149759 0.78 APP (0.53) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3201047 0.77 APP (0.52) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL27507811 0.77 APP (0.52) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2248504 0.77 APP (0.52) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11779246 0.77 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11779105 0.76 RAB9A (0.58) NPC1RAB9AAPPMMP2MMP9
SCHEMBL8332284 0.76 NPC1 (0.60) NPC1RAB9AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1571142-B1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA (IT) 2012-09-12 EP disclosed
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 NPC1 4082/4885RAB9A 2198/4885SMN1; SMN2 3663/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 NPC1 4082/4885RAB9A 2198/4885SMN1; SMN2 3663/4885

“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.