SCHEMBL3204773

SCHEMBL3204773

CC(=N)Nc1ccc2oc(C(C)c3ccccc3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.47
SMN1; SMN2 Q16637 8/20 0.47
NPC1 O15118 7/20 0.47
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
POLB P06746 2/20 0.47
UTRN P46939 2/20 0.42
MAPT P10636 4/20 0.41
HPGD P15428 4/20 0.41
TP53 P04637 3/20 0.41
HSD17B10 Q99714 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL2246274 0.84 UTRN (0.59) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL3205818 0.80 ALDH1A1 (0.39) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL3196281 0.77 ALDH1A1 (0.76) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL2242717 0.75 RAB9A (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL3190423 0.74 MAPT (0.52) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL3198291 0.74 NPC1 (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL3190313 0.73 RAB9A (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL3190304 0.73 RAB9A (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL3203073 0.73 TRPV1 (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL3204779 0.73 MAPT (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E

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.