SCHEMBL3200650

SCHEMBL3200650

COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3s2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.53
CYP1A1 P04798 3/20 0.48
CYP1B1 Q16678 3/20 0.48
MAPT P10636 5/20 0.47
APP P05067 1/20 0.47
DYRK1A Q13627 3/20 0.46
RIPK1 Q13546 1/20 0.46
AMY1A P0DUB6 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP4B1 P13584 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP3A5 P20815 1/20 0.45
CYP2A7 P20853 1/20 0.45
CYP3A7 P24462 1/20 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
SCHEMBL1984224 0.88 APP (0.57) SCDMAPTAPPAMY1ALMNA
SCHEMBL3201601 0.86 MEN1 (0.52) SCDMAPTAPPRIPK1AMY1A
SCHEMBL1984479 0.83 MAPT (0.62) MAPTAPPLMNATP53MEN1
SCHEMBL3194922 0.83 APP (0.58) SCDMAPTAPPDYRK1ALMNA
SCHEMBL1984456 0.81 APP (0.61) SCDMAPTAPPDYRK1AKDM4E
SCHEMBL3193580 0.80 SMN1; SMN2 (0.63) SCDMAPTAPPRIPK1LMNA
SCHEMBL3201134 0.79 CYP1A1 (0.53) CYP1A1CYP1B1MAPTAPPDYRK1A
SCHEMBL12471052 0.79 CYP1A1 (0.53) CYP1A1CYP1B1MAPTDYRK1ACYP1A2
SCHEMBL5086604 0.78 APP (0.56) SCDMAPTAPPAMY1AGLA
SCHEMBL15454599 0.77 MAPT (0.72) CYP1A1CYP1B1MAPTLMNATP53

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 SCD 2498/4885CYP1A1 55/4885CYP1B1 71/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 SCD 2498/4885CYP1A1 55/4885CYP1B1 71/4885

“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.