SCHEMBL178499

SCHEMBL178499

CNC(C)c1ccc(OC)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.49
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ACHE P22303 1/20 0.44
CHRM4 P08173 1/20 0.44
TUBB1 Q9H4B7 3/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
ROCK2 O75116 1/20 0.42
CYP19A1 P11511 1/20 0.41
KDM1A O60341 2/20 0.39
CYP17A1 P05093 1/20 0.39
HPGD P15428 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
P2RX3 P56373 1/20 0.38
CASR P41180 2/20 0.38

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
SCHEMBL10189787 0.86 CYP2D6 (0.45) CYP2D6CA1CA2ACHELMNA
SCHEMBL178554 0.83 ACHE (0.60) CYP2D6CA1CA2ACHELMNA
Hydrochloric Acid SCHEMBL3657271 0.81 ACHE (0.58) CYP2D6CA1CA2ACHELMNA
SCHEMBL3640768 0.81 KDM1A (0.43) CYP2D6TUBB1LMNAHTTKDM1A
SCHEMBL4229125 0.81 KDM1A (0.43) CYP2D6TUBB1LMNAHTTKDM1A
SCHEMBL84653 0.81 LMNA (0.47) TUBB1LMNAMAPK1HTTRAB9A
SCHEMBL16798294 0.81 LMNA (0.47) TUBB1LMNAMAPK1HTTRAB9A
SCHEMBL14318777 0.80 CYP2D6 (0.50) CYP2D6CA1CA2ACHEKDM1A
SCHEMBL13137651 0.79 TAS1R3 (0.43) CA1CA2ACHECHRM4LMNA
SCHEMBL178544 0.79 ALDH1A1 (0.41) MAPK1

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 3 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
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP 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 72/4885CA1 895/4885CA2 314/4885

“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.