SCHEMBL6001858

SCHEMBL6001858

Oc1ccc(Oc2nc(-c3ccc(F)cc3)cc3ccccc23)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
DHODH Q02127 1/20 0.40
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HPGD P15428 4/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 3/20 0.40
SQOR Q9Y6N5 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
ACP1 P24666 1/20 0.38
CYP2C9 P11712 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SCN9A Q15858 3/20 0.37
TDO2 P48775 1/20 0.37

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
SCHEMBL6001691 0.88 KDM4E (0.47) HSD17B1HSD17B2DHODHKDM4EMEN1
SCHEMBL6001397 0.83 TDO2 (0.46) KDM4EHPGDMAPTALDH1A1SQOR
SCHEMBL5999859 0.80 LMNA (0.51) DHODHKDM4EHPGDMAPTALDH1A1
SCHEMBL6001844 0.80 TRPA1 (0.48) KDM4EMEN1KMT2AHPGDMAPT
SCHEMBL6001386 0.78 TP53 (0.58) DHODHKDM4EMEN1KMT2AHPGD
SCHEMBL6001831 0.74 KDR (0.45) HSD17B1HSD17B2MEN1KMT2AHPGD
SCHEMBL30497936 0.68 ADORA2A (0.50) DHODHKDM4EMAPTALDH1A1SQOR
SCHEMBL21644727 0.68 ADORA2A (0.50) DHODHKDM4EMAPTALDH1A1SQOR
SCHEMBL29007310 0.67 SYK (0.50) KDM4EMEN1KMT2AHPGDMAPT
SCHEMBL13443764 0.67 NPC1 (0.59) KDM4EMEN1KMT2AHPGDMAPT

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 HSD17B1 1404/4885HSD17B2 1000/4885DHODH 855/4885

“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.