SCHEMBL3205818

SCHEMBL3205818

CC(=N)Nc1ccc2oc(C(C)c3ccccc3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 2/20 0.37
NPY5R Q15761 1/20 0.37
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
VKORC1 Q9BQB6 1/20 0.35
RORC P51449 2/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3204773 0.80 RAB9A (0.47) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3184553 0.78 MAOB (0.55) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3192263 0.75 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3205800 0.74 APP (0.52) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3205802 0.74 APP (0.52) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3205824 0.74 F10 (0.45) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3202713 0.72 MAOB (0.44) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3194102 0.72 RAB9A (0.38) KDM4EMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3198919 0.71 MAOB (0.48) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3203140 0.71 RAB9A (0.43) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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 ALDH1A1 1195/4885KDM4E 3052/4885MEN1 3366/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 ALDH1A1 1195/4885KDM4E 3052/4885MEN1 3366/4885

“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.