SCHEMBL3204567

SCHEMBL3204567

CC(=N)Nc1ccc2oc(-c3ccc(F)cc3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.50
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NFKB1 P19838 1/20 0.48
NPY1R P25929 1/20 0.48
NFKB2 Q00653 1/20 0.48
KMT2A Q03164 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAOB P27338 3/20 0.46
MAOA P21397 1/20 0.46
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
PTGS2 P35354 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40

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
SCHEMBL3191644 0.86 NPC1 (0.57) APPNPC1RAB9AKDM4EMEN1
SCHEMBL3184553 0.86 MAOB (0.55) APPNPC1RAB9AKDM4EMEN1
SCHEMBL3208471 0.86 MAOB (0.49) APPNPC1RAB9AKDM4EMEN1
SCHEMBL3194169 0.86 FFAR1 (0.50) APPNPC1RAB9AKDM4EMEN1
SCHEMBL3192259 0.84 APP (0.62) APPNPC1RAB9AKDM4EMEN1
SCHEMBL926335 0.82 GABRP (0.63) APPNPC1RAB9AKDM4EALDH1A1
SCHEMBL3195174 0.82 NPC1 (0.46) APPNPC1RAB9AKDM4EMEN1
SCHEMBL735725 0.81 APP (0.64) APPNPC1RAB9AKDM4EMEN1
SCHEMBL3198919 0.79 MAOB (0.48) APPNPC1RAB9AKDM4EMEN1
SCHEMBL3183929 0.78 PTGS2 (0.52) APPNPC1RAB9AKDM4EMEN1

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 2794/4885NPC1 4082/4885RAB9A 2198/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 APP 2794/4885NPC1 4082/4885RAB9A 2198/4885

“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.