SCHEMBL3204779

SCHEMBL3204779

CC(=N)Nc1ccc2oc(CCc3ccccc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
RAB9A P51151 7/20 0.57
NPC1 O15118 6/20 0.57
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TP53 P04637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
GRK6 P43250 1/20 0.47
LMNA P02545 1/20 0.44

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
SCHEMBL3190423 0.89 MAPT (0.52) MAPTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL2244961 0.82 RAB9A (0.58) MAPTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL3205824 0.78 F10 (0.45) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL3196281 0.77 ALDH1A1 (0.76) MAPTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL3198296 0.74 PDE10A (0.45) MAPTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL12419291 0.74 NPC1 (0.66) MAPTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL3205877 0.73 PLAU (0.50) MAPTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL2244727 0.73 RAB9A (1.00) MAPTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL3190304 0.73 RAB9A (0.57) MAPTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL3203077 0.73 EPHX2 (0.50) MAPTRAB9ANPC1SMN1; SMN2TP53

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 MAPT 4542/4885RAB9A 2198/4885NPC1 4082/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 MAPT 4542/4885RAB9A 2198/4885NPC1 4082/4885

“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.