SCHEMBL20869665

SCHEMBL20869665

Nc1cccc(CN2CCN(Cc3ccco3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
PKM P14618 1/20 0.51
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TRPV6 Q9H1D0 1/20 0.44
NCF1 P14598 1/20 0.43

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
SCHEMBL16760957 0.84 SIGMAR1 (0.56) KMT2AALDH1A1NCF1
SCHEMBL17175745 0.79 MEN1 (0.70) KMT2AMEN1PKMKDM4EALDH1A1
SCHEMBL30469295 0.77 PRMT6 (0.68) KDM4EALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL13242846 0.77 PRMT6 (0.62) KDM4EALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL833409 0.77 PRMT6 (0.68) KDM4EALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL15708753 0.77 ALDH1A1 (0.67) KMT2AMEN1PKMKDM4EALDH1A1
SCHEMBL264786 0.76 NCF1 (0.71) KMT2AMEN1KDM4EALDH1A1NCF1
SCHEMBL30704912 0.76 NCF1 (0.71) KMT2AMEN1KDM4EALDH1A1NCF1
SCHEMBL374345 0.76 ALDH1A1 (0.59) KMT2AMEN1KDM4EALDH1A1NCF1
SCHEMBL29715963 0.76 LMNA (0.64) NCF1

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 KMT2A 2105/4885MEN1 3939/4885PKM 248/4885

“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.