SCHEMBL3192259

SCHEMBL3192259

COc1ccc(-c2cc3cc(NC(C)=N)ccc3o2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.62
MAPT P10636 4/20 0.49
HSD17B10 Q99714 2/20 0.49
CASP1 P29466 1/20 0.49
MAOA P21397 1/20 0.48
CA9 Q16790 1/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPY1R P25929 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
THRB P10828 2/20 0.45

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
SCHEMBL3191027 0.86 MAOB (0.55) APPMAPTHSD17B10CASP1MAOA
SCHEMBL3204567 0.84 APP (0.50) APPMAOARAB9ANPC1NFKB1
SCHEMBL3191644 0.84 NPC1 (0.57) APPRAB9ANPC1NFKB1NFKB2
SCHEMBL3184553 0.84 MAOB (0.55) APPRAB9ANPC1NFKB1NFKB2
SCHEMBL7637766 0.83 MAPT (0.67) APPMAPTHSD17B10RAB9ANPC1
Hydrochloric Acid SCHEMBL926266 0.81 MAPT (0.64) APPMAPTHSD17B10RAB9ANPC1
SCHEMBL3194169 0.81 FFAR1 (0.50) APPCA9RAB9ANPC1NFKB1
SCHEMBL3195174 0.80 NPC1 (0.46) APPMAPTRAB9ANPC1NFKB1
SCHEMBL29873198 0.79 APP (0.82) APPMAPTHSD17B10MAOARAB9A
SCHEMBL14833013 0.79 APP (0.82) APPMAPTHSD17B10MAOARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2794/4885MAPT 4542/4885HSD17B10 1118/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 APP 2794/4885MAPT 4542/4885HSD17B10 1118/4885

“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.