SCHEMBL22275787

SCHEMBL22275787

FC(F)(F)c1ccc(CSC2=NCN(CCc3ccc(Cl)c(Cl)c3)CN2)c(CSC2=NCN(CCc3ccc(Cl)c(Cl)c3)CN2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ SIGMAR1 Q99720 13/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TMEM97 Q5BJF2 2/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 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
SCHEMBL22262985 0.89 GPR84 (0.38) CYP1A2CYP2D6HIF1AMEN1KMT2A
SCHEMBL22275736 0.88 CYP1A2 (0.50) CYP1A2CYP2D6HIF1ASIGMAR1MEN1
SCHEMBL20917799 0.87 CYP1A2 (0.44) CYP1A2CYP2D6HIF1ASIGMAR1MEN1
SCHEMBL22263120 0.86 DAO (0.42) SIGMAR1HTR2A
SCHEMBL20932774 0.86 CYP1A2 (0.48) CYP1A2CYP2D6HIF1ASIGMAR1MEN1
SCHEMBL22275641 0.85 KMT2A (0.42) CYP1A2CYP2D6MEN1KMT2AKCNH2
SCHEMBL20920181 0.85 CYP1A2 (0.44) CYP1A2CYP2D6HIF1ASIGMAR1MEN1
SCHEMBL22275610 0.83 PPARD (0.38) CYP1A2CYP2D6TSHR
SCHEMBL20917798 0.82 SLC6A4 (0.36) CYP1A2CYP2D6SLC6A4TSHR
SCHEMBL20932763 0.81 MAPT (0.41) GAATSHR

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-20200239452-A1 IDO/TDO Inhibitor CANBAS CO., LTD. (JP) 2020-07-30 — — 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-20200239452-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 CYP1A2 363/4885CYP2D6 575/4885HIF1A 3666/4885

“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.

Send feedback