SCHEMBL3204484

SCHEMBL3204484

CC(=N)Nc1ccc2[nH]c(-c3cccc(Cl)c3)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
PPARG P37231 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
CYP19A1 P11511 1/20 0.49
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
ASIC3 Q9UHC3 3/20 0.44
F2 P00734 3/20 0.43
F10 P00742 2/20 0.43
PLG P00747 2/20 0.43
PLAU P00749 2/20 0.43
PRSS1 P07477 2/20 0.43

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
SCHEMBL3183565 0.86 KDM4E (0.50) FFAR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL3208413 0.85 F2 (0.56) PPARGKDM4EMEN1NPC1ALDH1A1
SCHEMBL3193646 0.85 ALDH1A1 (0.43) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL3194162 0.84 MAOB (0.47) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL3194164 0.83 KDM4E (0.58) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL3183279 0.79 FFAR1 (0.49) FFAR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL13420281 0.78 KDM4E (0.51) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL3190320 0.78 KCNQ2 (0.47) MEN1NPC1RAB9AKMT2AASIC3
SCHEMBL10223078 0.76 KDM4E (0.57) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL3184564 0.76 KCNQ2 (0.66) KDM4EMEN1NPC1ALDH1A1MAPT

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 FFAR1 696/4885PPARG 1757/4885KDM4E 3052/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 FFAR1 696/4885PPARG 1757/4885KDM4E 3052/4885

“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.