SCHEMBL3203320

SCHEMBL3203320

COc1ccccc1-c1nc2ccc(NC(C)=N)cc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
TP53 P04637 4/20 0.55
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
THRB P10828 2/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
AGPAT2 O15120 3/20 0.47
C1R P00736 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL3204607 0.91 MAPT (0.66) MAPTTP53THRBNPC1RAB9A
SCHEMBL3193020 0.86 MAPT (0.48) MAPTTP53CASP3SENP8SENP7
SCHEMBL3207366 0.84 MAPT (0.55) MAPTTP53CASP3SENP8SENP7
SCHEMBL3207301 0.83 CASP3 (0.53) MAPTTP53CASP3SENP8SENP7
SCHEMBL3203340 0.83 KMT2A (0.56) MAPTTP53CASP3SENP8SENP7
SCHEMBL3190505 0.80 CASP3 (0.76) MAPTTP53CASP3SENP8SENP7
SCHEMBL3184541 0.79 TP53 (0.64) MAPTTP53CASP3SENP8SENP7
SCHEMBL3198912 0.78 NPC1 (0.56) MAPTTP53CASP3SENP8SENP7
SCHEMBL31048586 0.77 GPR119 (0.54) MAPTTP53NPC1GPR119C1R
SCHEMBL3202715 0.77 MAPT (0.54) MAPTTP53THRBRAB9AMEN1

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 4542/4885TP53 4810/4885CASP3 349/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 MAPT 4542/4885TP53 4810/4885CASP3 349/4885

“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.