SCHEMBL178490

SCHEMBL178490

CNC(C)c1ccc(Cl)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.50
KCNH2 Q12809 8/20 0.50
HTR2A P28223 7/20 0.50
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CXCR3 P49682 1/20 0.39
MDM2 Q00987 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
IDH1 O75874 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP3A5 P20815 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
SCHEMBL9070739 1.00 SLC6A4 (0.50) SLC6A4KCNH2HTR2AHTTLMNA
SCHEMBL23564774 0.83 HTT (0.40) SLC6A4KCNH2HTR2AHTTLMNA
SCHEMBL19832461 0.83 HTT (0.44) SLC6A4KCNH2HTR2AHTTLMNA
Hydrochloric Acid SCHEMBL30400198 0.81 HTT (0.43) SLC6A4KCNH2HTR2AHTTLMNA
Hydrochloric Acid SCHEMBL19816742 0.81 HTT (0.43) SLC6A4KCNH2HTR2AHTTLMNA
SCHEMBL8353840 0.80 LMNA (0.59) SLC6A4KCNH2HTR2AHTTLMNA
SCHEMBL8298242 0.80 LMNA (0.59) SLC6A4KCNH2HTR2AHTTLMNA
SCHEMBL19965517 0.80 LMNA (0.59) SLC6A4KCNH2HTR2AHTTLMNA
SCHEMBL178508 0.80 HTR2A (0.47) SLC6A4KCNH2HTR2ACYP2D6SLC6A2
SCHEMBL8298232 0.80 HTR2A (0.47) SLC6A4KCNH2HTR2ACYP2D6SLC6A2

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 4 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
WO-2010131669-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2010-11-18 WO disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO 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 SLC6A4 286/4885KCNH2 1115/4885HTR2A 2926/4885

“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.