SCHEMBL3205824

SCHEMBL3205824

CC(=N)Nc1ccc2oc(CCc3ccccc3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.45
F2 P00734 3/20 0.45
PPARG P37231 3/20 0.44
HTR2B P41595 3/20 0.43
HTR3A P46098 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 3/20 0.37
STS P08842 1/20 0.37
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL3192263 0.88 ALDH1A1 (0.43) F10F2ALDH1A1KDM4ERAB9A
SCHEMBL3204779 0.78 MAPT (0.57) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL3184553 0.76 MAOB (0.55) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL3201542 0.74 HDAC1 (0.44) KDM4ERAB9ASMN1; SMN2POLB
SCHEMBL3205818 0.74 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL3205877 0.73 PLAU (0.50) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL24400607 0.72 PPARG (0.60) PPARGHTR2BHTR3AALDH1A1NPC1
SCHEMBL12420169 0.72 PPARG (0.49) F10F2PPARGHTR2BHTR3A
SCHEMBL3205802 0.72 APP (0.52) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL3205800 0.72 APP (0.52) ALDH1A1KDM4ERAB9ANPC1SMN1; 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 F10 206/4885F2 114/4885PPARG 1757/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 F10 206/4885F2 114/4885PPARG 1757/4885

“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.