SCHEMBL3204497

SCHEMBL3204497

CC(=N)Nc1ccc2oc(-c3cccc(F)c3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.65
KDM4E B2RXH2 8/20 0.65
ALDH1A1 P00352 7/20 0.65
RAB9A P51151 6/20 0.65
HPGD P15428 6/20 0.65
NPC1 O15118 5/20 0.65
RXFP1 Q9HBX9 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
GLA P06280 1/20 0.65
KMT2A Q03164 1/20 0.65
HSD17B10 Q99714 4/20 0.61
MAPK1 P28482 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.58
POLB P06746 1/20 0.58
UTRN P46939 2/20 0.54
TP53 P04637 3/20 0.54
PTPN1 P18031 2/20 0.53
PTPN5 P54829 2/20 0.53
HSPD1 P10809 1/20 0.51
PTPN2 P17706 1/20 0.51

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
SCHEMBL3183588 0.91 CASP3 (0.58) MAPTKDM4EALDH1A1RAB9AHPGD
SCHEMBL3204494 0.87 NPC1 (0.70) MAPTKDM4EALDH1A1RAB9AHPGD
SCHEMBL3202109 0.86 MAPT (0.67) MAPTKDM4EALDH1A1RAB9AHPGD
SCHEMBL3196281 0.86 ALDH1A1 (0.76) MAPTKDM4EALDH1A1RAB9AHPGD
SCHEMBL3191910 0.86 MAPT (0.61) MAPTKDM4EALDH1A1RAB9AHPGD
SCHEMBL3190213 0.85 PTPN2 (0.55) MAPTKDM4EALDH1A1RAB9AHPGD
SCHEMBL3198911 0.84 HDAC6 (0.56) MAPTKDM4EALDH1A1RAB9AHPGD
SCHEMBL3203151 0.84 KDM4E (0.63) MAPTKDM4EALDH1A1RAB9AHPGD
SCHEMBL2245556 0.83 UTRN (0.71) MAPTKDM4EALDH1A1RAB9AHPGD
SCHEMBL2242648 0.81 KDM4E (0.71) MAPTKDM4EALDH1A1RAB9AHPGD

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 4542/4885KDM4E 3052/4885ALDH1A1 1195/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 MAPT 4542/4885KDM4E 3052/4885ALDH1A1 1195/4885

“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.