SCHEMBL3196281

SCHEMBL3196281

CC(=N)Nc1ccc2oc(-c3ccccc3)nc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.76
KDM4E B2RXH2 8/20 0.76
SMN1; SMN2 Q16637 7/20 0.76
NPC1 O15118 7/20 0.76
RAB9A P51151 7/20 0.76
POLB P06746 4/20 0.76
MAPT P10636 8/20 0.61
MAPK1 P28482 2/20 0.61
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
CASP3 P42574 2/20 0.61
SENP8 Q96LD8 2/20 0.61
SENP7 Q9BQF6 2/20 0.61
SENP6 Q9GZR1 2/20 0.61
HPGD P15428 6/20 0.60
TP53 P04637 2/20 0.60
CHIA Q9BZP6 1/20 0.60
UTRN P46939 1/20 0.59
NPSR1 Q6W5P4 3/20 0.59
MEN1 O00255 2/20 0.59

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
SCHEMBL3190505 0.89 CASP3 (0.76) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3192227 0.88 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3204494 0.87 NPC1 (0.70) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3198920 0.87 CASP3 (0.69) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3202109 0.87 MAPT (0.67) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL2243174 0.86 NPC1 (1.00) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3191910 0.86 MAPT (0.61) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3204497 0.86 MAPT (0.65) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3183621 0.85 MAPT (0.71) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3203151 0.84 KDM4E (0.63) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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 9 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-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production MAKOVEC FRANCESCO 2010-05-13 US 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-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-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 ALDH1A1 1195/4885KDM4E 3052/4885SMN1; SMN2 3663/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 ALDH1A1 1195/4885KDM4E 3052/4885SMN1; 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.