SCHEMBL6005231

SCHEMBL6005231

COc1cc(OC)c(CNC(=O)c2ccccc2N)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.66
ALDH1A1 P00352 8/20 0.66
KDM4E B2RXH2 6/20 0.66
RCE1 Q9Y256 1/20 0.66
USP2 O75604 1/20 0.65
PTPN1 P18031 1/20 0.59
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 2/20 0.52
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TP53 P04637 2/20 0.50
GLA P06280 1/20 0.50
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL19326905 0.85 HPGD (0.74) HPGDALDH1A1KDM4ERCE1USP2
SCHEMBL29433999 0.80 HPGD (0.74) HPGDALDH1A1KDM4ERCE1USP2
SCHEMBL7651189 0.80 HPGD (1.00) HPGDALDH1A1KDM4ERCE1USP2
SCHEMBL7655589 0.80 HPGD (0.74) HPGDALDH1A1KDM4ERCE1USP2
SCHEMBL7134208 0.77 PTPN1 (0.50) HPGDALDH1A1KDM4EUSP2PTPN1
SCHEMBL21014263 0.76 HPGD (0.65) HPGDALDH1A1KDM4ERCE1USP2
SCHEMBL6715984 0.76 HPGD (0.57) HPGDALDH1A1KDM4EPTPN1GAA
SCHEMBL7134214 0.75 PTPN1 (0.48) HPGDALDH1A1KDM4EUSP2PTPN1
SCHEMBL18415442 0.75 PTPN1 (0.63) HPGDALDH1A1USP2PTPN1GAA
SCHEMBL28475214 0.75 NPC1 (0.74) ALDH1A1KDM4ETP53MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 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-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP HPGD 895/4885ALDH1A1 760/4885KDM4E 2934/4885

“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.