SCHEMBL3191027

SCHEMBL3191027

COc1cccc(-c2cc3cc(NC(C)=N)ccc3o2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
APP P05067 3/20 0.52
MAOA P21397 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 3/20 0.47
MAPT P10636 3/20 0.47
CYP3A4 P08684 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL3192259 0.86 APP (0.62) MAOBAPPMAOAKDM4EMAPT
SCHEMBL3184553 0.83 MAOB (0.55) MAOBAPPKDM4EMEN1KMT2A
SCHEMBL3208471 0.83 MAOB (0.49) MAOBAPPMAOAKDM4EMAPT
SCHEMBL3183929 0.83 PTGS2 (0.52) MAOBAPPKDM4EMAPK1MAPT
SCHEMBL3203151 0.79 KDM4E (0.63) KDM4EMAPK1MAPTTP53HSD17B10
SCHEMBL3201207 0.77 MAOB (0.50) MAOBMAOAKDM4EMAPTCYP3A4
SCHEMBL3198912 0.77 NPC1 (0.56) KDM4EMAPK1MAPTMEN1KMT2A
SCHEMBL3195174 0.77 NPC1 (0.46) MAOBAPPKDM4EMAPTMEN1
SCHEMBL3191644 0.76 NPC1 (0.57) MAOBAPPKDM4EMEN1KMT2A
SCHEMBL3204567 0.76 APP (0.50) MAOBAPPMAOAKDM4EMEN1

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 MAOB 184/4885APP 2794/4885MAOA 144/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 MAOB 184/4885APP 2794/4885MAOA 144/4885

“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.