SCHEMBL3198795

SCHEMBL3198795

CC(=N)Nc1ccc2sc(-c3cccc(Cl)c3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
NPC1 O15118 6/20 0.51
MAPT P10636 5/20 0.51
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 3/20 0.51
PKM P14618 2/20 0.51
GAA P10253 1/20 0.51
SENP7 Q9BQF6 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
AGPAT2 O15120 1/20 0.46
APP P05067 2/20 0.44
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NFKB1 P19838 2/20 0.42

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
SCHEMBL3183548 0.87 MAPT (0.52) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL3195030 0.86 SENP7 (0.57) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL3196077 0.86 RAB9A (0.53) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL3196621 0.86 MAPT (0.51) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL3205101 0.84 APP (0.47) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL3201161 0.84 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL2244998 0.83 SENP7 (0.55) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL3195869 0.80 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL3198889 0.80 AGPAT2 (0.52) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL3183353 0.79 CNR1 (0.54) RAB9ASMN1; SMN2NPC1MAPTKMT2A

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 RAB9A 2198/4885SMN1; SMN2 3663/4885NPC1 4082/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 RAB9A 2198/4885SMN1; SMN2 3663/4885NPC1 4082/4885

“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.