SCHEMBL3201207

SCHEMBL3201207

COc1ccccc1-c1cc2cc(NC(C)=N)ccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
MAOA P21397 1/20 0.50
AHR P35869 1/20 0.49
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.45
AR P10275 1/20 0.44
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
PPARG P37231 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
PTGES O14684 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3202713 0.84 MAOB (0.44) MAOBMAOAALDH1A1HPGDMAPT
SCHEMBL3198919 0.82 MAOB (0.48) MAOBMAOAAHRALDH1A1HPGD
SCHEMBL3203140 0.82 RAB9A (0.43) MAOBMAOAALDH1A1HPGDMAPT
SCHEMBL3184553 0.79 MAOB (0.55) MAOBALDH1A1HPGDMEN1KMT2A
SCHEMBL3204607 0.79 MAPT (0.66) ALDH1A1HPGDMAPTTP53HSD17B10
SCHEMBL15157619 0.78 ALDH1A1 (0.67) MAOBMAOAAHRALDH1A1TSHR
SCHEMBL3192259 0.78 APP (0.62) MAOBMAOAALDH1A1HPGDCYP3A4
SCHEMBL3191027 0.77 MAOB (0.55) MAOBMAOAALDH1A1TSHRHPGD
SCHEMBL3203320 0.76 MAPT (0.55) ALDH1A1TSHRHPGDMAPTTP53
SCHEMBL12368393 0.76 MAOB (0.64) MAOBMAOAAHRALDH1A1TSHR

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 MAOB 184/4885MAOA 144/4885AHR 316/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 MAOB 184/4885MAOA 144/4885AHR 316/4885

“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.