SCHEMBL3205101

SCHEMBL3205101

CC(=N)Nc1ccc2sc(-c3ccc(Cl)c(Cl)c3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.47
AGPAT2 O15120 3/20 0.47
SENP7 Q9BQF6 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.43
DUSP3 P51452 1/20 0.43
DYRK1A Q13627 3/20 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
SCHEMBL3195030 0.88 SENP7 (0.57) APPAGPAT2SENP7CASP3SENP8
SCHEMBL3198795 0.84 RAB9A (0.51) APPAGPAT2SENP7CASP3SENP8
SCHEMBL3195869 0.84 SMN1; SMN2 (0.56) APPSENP7CASP3SENP8SENP6
SCHEMBL3183526 0.82 APP (0.55) APPSENP7CASP3SENP8SENP6
SCHEMBL2244470 0.82 SENP7 (0.53) APPAGPAT2SENP7CASP3SENP8
SCHEMBL3196077 0.82 RAB9A (0.53) APPSENP7CASP3SENP8SENP6
SCHEMBL3182125 0.81 HDAC6 (0.58) APPKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3198889 0.81 AGPAT2 (0.52) AGPAT2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3183548 0.81 MAPT (0.52) APPKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3182070 0.80 AGPAT2 (0.49) APPAGPAT2SENP7CASP3SENP8

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 APP 2794/4885AGPAT2 2972/4885SENP7 3742/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 APP 2794/4885AGPAT2 2972/4885SENP7 3742/4885

“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.