SCHEMBL178504

SCHEMBL178504

CNC(C)CCc1ccc(OC)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
L3MBTL1 Q9Y468 4/20 0.60
MAPT P10636 3/20 0.60
MAPK1 P28482 2/20 0.60
POLB P06746 2/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 4/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 2/20 0.56
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL9627281 0.89 HTT (0.57) HTTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL13695046 0.85 HTT (0.70) HTTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL9781238 0.84 HTT (0.68) HTTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL19505658 0.82 HTT (1.00) HTTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL178622 0.81 SLC6A4 (0.60) MEN1KMT2AL3MBTL1CYP2D6CYP2C19
SCHEMBL896368 0.81 SLC6A4 (0.60) MEN1KMT2AL3MBTL1CYP2D6CYP2C19
SCHEMBL879606 0.80 HTT (0.62) HTTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL9627122 0.80 MAOB (0.62) HTTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL19498809 0.80 HTT (0.82) HTTSMN1; SMN2MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL29410112 0.79 SLC6A4 (0.58) MEN1KMT2AL3MBTL1CYP2D6CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4460492-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE (INSERM) Institut National de la Santé et de la Recherche Médicale (FR) 2024-11-13 EP disclosed
WO-2023131677-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-07-13 WO disclosed
WO-2023131677-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-07-13 WO disclosed
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 HTT 3325/4885SMN1; SMN2 2373/4885MEN1 945/4885

“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.