SCHEMBL6001691

SCHEMBL6001691

Oc1ccc(Oc2nc(-c3ccc(F)cc3)cc3ccccc23)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
MEN1 O00255 4/20 0.47
HPGD P15428 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
DHODH Q02127 1/20 0.39
MAPT P10636 2/20 0.39
EGFR P00533 1/20 0.39
SQOR Q9Y6N5 2/20 0.38
SCN9A Q15858 5/20 0.38
LMNA P02545 1/20 0.37
ACP1 P24666 1/20 0.37
CYP2C9 P11712 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TDO2 P48775 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35

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
SCHEMBL6001858 0.88 HSD17B1 (0.41) KDM4EMEN1HPGDKMT2AALDH1A1
SCHEMBL6001844 0.78 TRPA1 (0.48) KDM4EMEN1HPGDKMT2AALDH1A1
SCHEMBL6001397 0.77 TDO2 (0.46) KDM4EHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL6001386 0.76 TP53 (0.58) KDM4EMEN1HPGDKMT2AALDH1A1
SCHEMBL8652143 0.72 HSP90AA1 (0.47) HSD17B2SCN9A
SCHEMBL6001924 0.71 KDM4E (0.45) KDM4EMEN1HPGDKMT2AALDH1A1
SCHEMBL7258823 0.71 CYP19A1 (0.47) KDM4EMEN1HPGDKMT2AALDH1A1
SCHEMBL5999859 0.68 LMNA (0.51) KDM4EHPGDALDH1A1DHODHMAPT
SCHEMBL30497936 0.66 ADORA2A (0.50) KDM4EALDH1A1DHODHMAPTSQOR
SCHEMBL21644727 0.66 ADORA2A (0.50) KDM4EALDH1A1DHODHMAPTSQOR

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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG KDM4E 2893/4885MEN1 2168/4885HPGD 189/4885

“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.