SCHEMBL178624

SCHEMBL178624

CNC(C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLC6A4 P31645 12/20 0.46
KCNH2 Q12809 10/20 0.46
HTR2A P28223 4/20 0.46
SLC6A2 P23975 8/20 0.43
SLC6A3 Q01959 8/20 0.43
CYP2D6 P10635 5/20 0.42
CYP3A4 P08684 4/20 0.42
AHR P35869 1/20 0.42

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
SCHEMBL13267449 1.00 ALDH1A1 (0.54) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL8207250 0.84 ALDH1A1 (0.56) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL9070740 0.83 ALDH1A1 (0.40) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL13076693 0.83 ALDH1A1 (0.40) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL178483 0.83 ALDH1A1 (0.40) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL8284254 0.83 CYP3A4 (0.42) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL178506 0.82 SLC6A4 (0.47) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL7415500 0.82 ALDH1A1 (0.39) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL15419067 0.82 SLC6A4 (0.47) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL10087245 0.82 GPR139 (0.40) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4

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 10 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
US-8124634-B2 CB1 receptor modulators 7TM PHARMA A/S (DK) 2012-02-28 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
US-20100010061-A1 CB1 RECEPTOR MODULATORS 7TM PHARMA A/S (DK) 2010-01-14 US disclosed
US-20090023791-A1 PH-dependent NMDA receptor antagonists EMORY UNIVERSITY (US) 2009-01-22 US disclosed
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-20 US disclosed
US-7375136-B2 pH-dependent NMDA receptor antagonists EMORY UNIVERSITY (US) 2008-05-20 US disclosed
US-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 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 (5 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 ALDH1A1 96/4885LMNA 3481/4885HTT 3325/4885
US-20100010061-A1 CB1 RECEPTOR MODULATORS CNR1, CNR2, GPR6 ALDH1A1 3325/4885LMNA 4443/4885HTT 3207/4885
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 ALDH1A1 1778/4885LMNA 3402/4885HTT 4829/4885
US-20090023791-A1 PH-dependent NMDA receptor antagonists GRIN1, GRIA4, GRIA1 ALDH1A1 2194/4885LMNA 538/4885HTT 178/4885
US-20040138502-A1 Ph-dependent nmda receptor antagonists GRIN1, GRIN2B, GRIN3A ALDH1A1 2602/4885LMNA 1371/4885HTT 32/4885

“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.