SCHEMBL3198792

SCHEMBL3198792

CC(=N)Nc1ccc2nc(-c3cccc(F)c3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 2/20 0.48
MAP4K4 O95819 7/20 0.45
CNR1 P21554 2/20 0.42
TP53 P04637 1/20 0.40
STAT1 P42224 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPV3 Q8NET8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
KMO O15229 1/20 0.38
MCL1 Q07820 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CNR2 P34972 1/20 0.37
PDGFRB P09619 1/20 0.37

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
SCHEMBL3202540 0.91 CNR1 (0.46) NPC1RAB9APOLBMAP4K4CNR1
SCHEMBL3194359 0.86 MAOA (0.47) NPC1RAB9APOLBTP53SMN1; SMN2
SCHEMBL3202307 0.85 NPC1 (0.46) NPC1RAB9ACNR1TP53STAT1
SCHEMBL3183564 0.85 CNR1 (0.50) NPC1RAB9AMAP4K4CNR1TP53
SCHEMBL3207427 0.83 ALDH1A1 (0.48) NPC1RAB9AMAP4K4SMN1; SMN2KDM4E
SCHEMBL3183539 0.81 NPC1 (0.44) NPC1RAB9APOLBMAP4K4TP53
SCHEMBL3202582 0.80 ADORA2A (0.43) NPC1RAB9APOLBSMN1; SMN2TRPV3
SCHEMBL3208421 0.79 ABL1 (0.41) NPC1RAB9ACNR1TRPV3KDM4E
SCHEMBL3191748 0.78 CNR1 (0.47) NPC1RAB9ACNR1TP53SMN1; SMN2
SCHEMBL1752658 0.77 CNR1 (0.41) NPC1RAB9ACNR1TRPV3KMO

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 NPC1 4082/4885RAB9A 2198/4885POLB 3621/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 NPC1 4082/4885RAB9A 2198/4885POLB 3621/4885

“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.