SCHEMBL3471804

SCHEMBL3471804

FC(F)(F)N1C=CC(c2ccc(-c3ccc(N4CCNCC4)nc3)s2)N1c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.39
ATR Q13535 1/20 0.36
CNR2 P34972 4/20 0.36
NTRK1 P04629 4/20 0.35
JAK2 O60674 1/20 0.34
RET P07949 1/20 0.34
MELK Q14680 1/20 0.34
CNR1 P21554 1/20 0.34
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
ACVR1B P36896 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
DGAT1 O75907 1/20 0.34
FAAH O00519 1/20 0.34
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL3471805 0.75 ADRB1 (0.39) ADRB1CNR2NTRK1JAK2RET
SCHEMBL3475014 0.73 RXRA (0.56) ADRB1CNR2RETDGAT1
Tert-Butyl Formate SCHEMBL27738020 0.67 RXRA (0.52) NTRK1JAK2RETACVR1
SCHEMBL16328868 0.66 NR3C2 (0.44) ADRB1CNR2NTRK1JAK2RET
SCHEMBL14624199 0.66 IRAK4 (0.41) CNR2RETDGAT1KCNH2
SCHEMBL3576475 0.66 CNR2 (0.38) CNR2NTRK1JAK2RETACVR1
SCHEMBL3442195 0.63 GPR119 (0.59) ADRB1ATRNTRK1BMPR1BBMPR1A
SCHEMBL15459629 0.63 RET (0.42) CNR2JAK2RETBMPR1BBMPR1A
Hydrochloric Acid SCHEMBL17157571 0.62 ADRB1 (0.41) ADRB1CNR2DGAT1HTR2AHTR2C
SCHEMBL12911533 0.62 GPR119 (0.58) ADRB1CNR2JAK2RETFAAH

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-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 ADRB1 57/4885ATR 2859/4885CNR2 149/4885

“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.