SCHEMBL178604

SCHEMBL178604

CNC(C)c1ccc(OC(F)F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
HTR2A P28223 8/20 0.41
SLC6A4 P31645 8/20 0.41
KCNH2 Q12809 7/20 0.41
IDH1 O75874 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE2A O00408 3/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALOX15 P16050 1/20 0.37
GFER P55789 1/20 0.37
ADAM17 P78536 1/20 0.37
FFAR1 O14842 1/20 0.35
CYP2C9 P11712 1/20 0.35
CACNA1C Q13936 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
SCHEMBL765606 0.83 CYP2D6 (0.62) CYP2D6HTR2ASLC6A4KCNH2IDH1
SCHEMBL12883118 0.82 PDE2A (0.42) KCNH2IDH1MEN1KMT2APDE2A
Hydrochloric Acid SCHEMBL31136851 0.81 MAPT (0.37) KCNH2IDH1MEN1KMT2APDE2A
SCHEMBL18097540 0.79 PTGS1 (0.41) KCNH2IDH1MEN1KMT2APDE2A
SCHEMBL16043621 0.79 PDE2A (0.50) SLC6A4KCNH2IDH1MEN1KMT2A
SCHEMBL19876571 0.79 PDE2A (0.50) SLC6A4KCNH2IDH1MEN1KMT2A
SCHEMBL19898017 0.79 PDE2A (0.40) KCNH2IDH1MEN1KMT2APDE2A
SCHEMBL31173791 0.78 ALOX15 (0.39) KCNH2MEN1KMT2APDE2AMAPT
SCHEMBL27821000 0.77 PTGS1 (0.49) KCNH2IDH1MEN1KMT2APDE2A
SCHEMBL178508 0.74 HTR2A (0.47) CYP2D6HTR2ASLC6A4KCNH2PDE2A

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-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 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-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 CYP2D6 72/4885HTR2A 2926/4885SLC6A4 286/4885

“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.