SCHEMBL20869701

SCHEMBL20869701

CCc1ccc2c3c(ncnc13)-c1ccccc1C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
HSP90AA1 P07900 1/20 0.60
HSP90AB1 P08238 1/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.60
MAOA P21397 2/20 0.48
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTSL P07711 1/20 0.40
PTPRC P08575 1/20 0.40
CTSS P25774 1/20 0.40
PTPN13 Q12923 1/20 0.40

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
SCHEMBL30919368 0.75 MAPT (1.00) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL7142147 0.75 MAPT (1.00) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL8445003 0.74 MAPT (0.78) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL460367 0.71 MAOA (0.56) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL1969983 0.65 MAOA (1.00) MAOAALDH1A1CTSLPTPRCCTSS
SCHEMBL30416588 0.64 MAOA (0.97) MAOAALDH1A1CTSLPTPRCCTSS
SCHEMBL7814111 0.64 ALDH1A1 (0.52) MAPTKMT2AMEN1MAOAALDH1A1
SCHEMBL10063730 0.64 MAPT (0.50) MAPTKMT2AKDM4EMEN1HPGD
SCHEMBL11236910 0.64 RAB9A (0.67) MAPTKMT2AKDM4EMEN1HPGD
SCHEMBL3798382 0.63 MAPK1 (0.50) MAPTKMT2AKDM4EMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190099453-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2019-04-04 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-20190099453-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE PYGL, HNF4A, ATF1 MAPT 4517/4885KMT2A 2105/4885KDM4E 850/4885

“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.