SCHEMBL6001397

SCHEMBL6001397

COc1ccc(Oc2nc(-c3ccc(F)cc3)cc3ccccc23)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.46
IDO1 P14902 1/20 0.46
SQOR Q9Y6N5 5/20 0.46
TRPA1 O75762 4/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
ACP1 P24666 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.42
NPBWR1 P48145 1/20 0.41
PTGES O14684 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6001844 0.92 TRPA1 (0.48) TDO2IDO1SQORTRPA1CYP1A2
SCHEMBL6001858 0.83 HSD17B1 (0.41) TDO2SQORTRPA1CYP1A2CYP2C9
SCHEMBL6001690 0.81 ABCG2 (0.59) KDM4EALDH1A1LMNAMAPTABCG2
SCHEMBL6001691 0.77 KDM4E (0.47) TDO2SQORCYP1A2CYP2C9CYP2C19
SCHEMBL6001423 0.77 ABCG2 (0.64) TDO2IDO1LMNAMAPTACP1
SCHEMBL6001924 0.76 KDM4E (0.45) TDO2IDO1SQORCYP1A2CYP3A4
SCHEMBL6001386 0.76 TP53 (0.58) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL13443764 0.74 NPC1 (0.59) SQORKDM4EALDH1A1LMNAMAPT
SCHEMBL6001934 0.73 KDM4E (0.64) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL6001192 0.72 MAPT (0.60) KDM4EALDH1A1LMNAMAPTABCG2

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 TDO2 1354/4885IDO1 883/4885SQOR 2026/4885

“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.