SCHEMBL21114872

SCHEMBL21114872

O=C1CCCC/C1=N\Nc1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.65
ALDH1A1 P00352 9/20 0.65
GAA P10253 6/20 0.65
RAB9A P51151 4/20 0.63
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
NPC1 O15118 1/20 0.51
GFER P55789 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MT-CO2 P00403 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GRM5 P41594 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KCNA5 P22460 1/20 0.36

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
SCHEMBL21114874 1.00 MAPT (0.65) MAPTALDH1A1GAARAB9AKDM4E
SCHEMBL21114859 0.83 ALDH1A1 (0.65) MAPTALDH1A1GAARAB9AKDM4E
SCHEMBL21114857 0.83 ALDH1A1 (0.65) MAPTALDH1A1GAARAB9AKDM4E
SCHEMBL4238951 0.83 GAA (0.65) MAPTALDH1A1GAARAB9AKDM4E
SCHEMBL4238950 0.83 GAA (0.65) MAPTALDH1A1GAARAB9AKDM4E
SCHEMBL13693824 0.83 GAA (0.65) MAPTALDH1A1GAARAB9AKDM4E
SCHEMBL4904052 0.82 GAA (0.65) MAPTALDH1A1GAARAB9AKDM4E
SCHEMBL4904047 0.82 GAA (0.65) MAPTALDH1A1GAARAB9AKDM4E
SCHEMBL13624627 0.82 GAA (0.65) MAPTALDH1A1GAARAB9AKDM4E
SCHEMBL22529442 0.81 MAPT (0.66) MAPTALDH1A1GAARAB9AKDM4E

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-10736911-B2 Use of a DHODH inhibitor in combination with an inhibitor of pyrimidine salvage THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-08-11 US disclosed
US-10736911-B2 Use of a DHODH inhibitor in combination with an inhibitor of pyrimidine salvage THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-08-11 US disclosed
US-20190209598-A1 USE OF A DHODH INHIBITOR IN COMBINATION WITH AN INHIBITOR OF PYRIMIDINE SALVAGE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2019-07-11 US disclosed
US-20190209598-A1 USE OF A DHODH INHIBITOR IN COMBINATION WITH AN INHIBITOR OF PYRIMIDINE SALVAGE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2019-07-11 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 (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-20190209598-A1 USE OF A DHODH INHIBITOR IN COMBINATION WITH AN INHIBITOR OF PYRIMIDINE SALVAGE DHODH, DPYD, DHPS MAPT 3576/4885ALDH1A1 502/4885GAA 1822/4885
US-10736911-B2 Use of a DHODH inhibitor in combination with an inhibitor of pyrimidine salvage DHODH, DPYD, DHPS MAPT 3576/4885ALDH1A1 502/4885GAA 1822/4885

“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.