SCHEMBL4172319

SCHEMBL4172319

O=C(C=Cc1cccc(O)c1)c1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.72
PKM P14618 4/20 0.72
RAB9A P51151 4/20 0.72
KDM4E B2RXH2 3/20 0.72
MAPT P10636 3/20 0.72
LMNA P02545 2/20 0.72
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CYP1A1 P04798 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP1B1 Q16678 1/20 0.60
KRAS P01116 1/20 0.60
PLIN1 O60240 1/20 0.59
MAPK1 P28482 1/20 0.59
PLIN5 Q00G26 1/20 0.59
ABHD5 Q8WTS1 1/20 0.59
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58

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
SCHEMBL977480 0.84 MAPT (1.00) NPC1PKMRAB9AKDM4EMAPT
SCHEMBL4400320 0.84 MAPT (1.00) NPC1PKMRAB9AKDM4EMAPT
SCHEMBL31088338 0.84 NPC1 (0.70) NPC1PKMRAB9AKDM4EMAPT
SCHEMBL9227613 0.84 NPC1 (0.70) NPC1PKMRAB9AKDM4EMAPT
SCHEMBL9227606 0.84 NPC1 (0.70) NPC1PKMRAB9AKDM4EMAPT
SCHEMBL4041794 0.83 NPC1 (0.74) NPC1PKMRAB9AKDM4EMAPT
SCHEMBL4042548 0.83 NPC1 (0.74) NPC1PKMRAB9AKDM4EMAPT
SCHEMBL1604280 0.83 MAPT (0.79) NPC1PKMRAB9AKDM4EMAPT
SCHEMBL31436352 0.83 MAPT (0.79) NPC1PKMRAB9AKDM4EMAPT
SCHEMBL6169751 0.83 NPC1 (0.68) NPC1PKMRAB9AKDM4EMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US 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 (1 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK NPC1 1909/4885PKM 2223/4885RAB9A 149/4885

“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.