SCHEMBL3204494

SCHEMBL3204494

CC(=N)Nc1ccc2oc(-c3cccc(C)c3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.70
RAB9A P51151 6/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
KDM4E B2RXH2 5/20 0.70
ALDH1A1 P00352 4/20 0.70
HPGD P15428 3/20 0.70
TP53 P04637 2/20 0.70
HSD17B10 Q99714 1/20 0.70
MAPT P10636 9/20 0.62
THRB P10828 2/20 0.62
LMNA P02545 2/20 0.62
RXFP1 Q9HBX9 2/20 0.61
STAT3 P40763 1/20 0.60
STAT1 P42224 1/20 0.60
POLB P06746 3/20 0.59
PPARG P37231 1/20 0.56
PTGS2 P35354 1/20 0.55
UTRN P46939 1/20 0.55
P2RY14 Q15391 1/20 0.54
PTPN2 P17706 1/20 0.54

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
SCHEMBL3193659 0.90 CASP3 (0.59) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3196281 0.87 ALDH1A1 (0.76) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3191910 0.87 MAPT (0.61) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3204497 0.87 MAPT (0.65) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3192227 0.86 ALDH1A1 (0.68) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3203151 0.85 KDM4E (0.63) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3190213 0.84 PTPN2 (0.55) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2246140 0.82 ALDH1A1 (0.77) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2242803 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL13420277 0.81 MAPT (0.64) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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 NPC1 4082/4885RAB9A 2198/4885SMN1; SMN2 3663/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 NPC1 4082/4885RAB9A 2198/4885SMN1; SMN2 3663/4885

“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.