SCHEMBL3347725

SCHEMBL3347725

COc1cc(C(N)=O)c(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP10 Q53GL7 2/20 0.44
PARP14 Q460N5 1/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
MAP2 P11137 1/20 0.42
CSF1R P07333 1/20 0.42
HTT P42858 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
PARP15 Q460N3 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
SCHEMBL28052752 0.86 NPC1 (0.49) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL28143231 0.85 PARP10 (0.48) RAB9AKDM4EALDH1A1PARP10PARP14
SCHEMBL6719734 0.84 NPC1 (0.51) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL6742902 0.84 PYGL (0.49) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL3344521 0.84 NPC1 (0.52) NPC1MAPTKDM4EALDH1A1KMT2A
SCHEMBL1718762 0.84 GAA (0.49) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL8067926 0.83 GAA (0.53) NPC1MAPTRAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5011467 0.82 GAA (0.47) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL6284961 0.81 RAB9A (0.46) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL3801667 0.81 KDM4E (0.47) RAB9AKDM4EALDH1A1PARP10PARP14

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
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
EP-2393781-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-14 EP disclosed
WO-2010072599-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 NPC1 1583/4885MAPT 1035/4885RAB9A 2564/4885

“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.