SCHEMBL3207351

SCHEMBL3207351

Nc1ccc2sc(-c3ccccn3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.66
RAB9A P51151 10/20 0.66
KDM4E B2RXH2 10/20 0.66
SMN1; SMN2 Q16637 7/20 0.66
ALDH1A1 P00352 5/20 0.66
TP53 P04637 5/20 0.66
HSD17B10 Q99714 3/20 0.66
TSHR P16473 1/20 0.66
MAPT P10636 10/20 0.59
GAA P10253 6/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
POLB P06746 3/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
GFER P55789 1/20 0.59
PKM P14618 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
APP P05067 3/20 0.51

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
SCHEMBL11778608 0.89 KDM4E (0.69) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL23954341 0.85 KDM4E (0.77) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL29081219 0.81 KDM4E (0.66) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8040079 0.81 KDM4E (0.66) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL221431 0.80 NPC1 (1.00) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2245118 0.79 MAPT (0.81) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8050339 0.78 RAB9A (0.60) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL11780136 0.76 KDM4E (0.55) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3202055 0.76 NPC1 (0.57) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL19149022 0.75 MAPT (0.59) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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 2198/4885KDM4E 3052/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 NPC1 4082/4885RAB9A 2198/4885KDM4E 3052/4885

“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.