SCHEMBL17182744

SCHEMBL17182744

Cc1ccc(C=O)c(OCC#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH2 P05091 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL28342817 0.87 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPTSRC
SCHEMBL29955556 0.84 MAOB (0.39) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL7817452 0.81 ALDH1A1 (0.63) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL30457873 0.81 PTGDR2 (0.44) ALDH1A1SMN1; SMN2LMNAHPGDHTT
SCHEMBL21639308 0.81 PTGDR2 (0.44) ALDH1A1SMN1; SMN2LMNAHPGDHTT
SCHEMBL11865885 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDHTTL3MBTL1
SCHEMBL1748693 0.80 LMNA (0.51) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL28120408 0.79 LMNA (0.43) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL8709785 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL17182684 0.76 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110642818-B Method for preparing benzofuran-2-carboxamide compound 云南师范大学 2023-05-30 — — CN claimed
CN-110642818-A Method for preparing benzofuran-2-formamide compound 云南师范大学 2020-01-03 — — CN claimed
CN-110642818-B Method for preparing benzofuran-2-carboxamide compound 云南师范大学 2023-05-30 — — CN disclosed
EP-3131893-B1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG (CH) 2020-02-12 — — EP disclosed
EP-3131893-B1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG (CH) 2020-02-12 — — EP disclosed
CN-110642818-A Method for preparing benzofuran-2-formamide compound 云南师范大学 2020-01-03 — — CN disclosed
EP-3131893-A1 POLYCYCLIC HERG ACTIVATORS Novartis AG (CH) 2017-02-22 — — EP disclosed
US-20160108025-A1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG 2016-04-21 — — US disclosed
US-20160108025-A1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG 2016-04-21 — — US disclosed
US-20160108025-A1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG 2016-04-21 — — US disclosed
US-9255093-B2 Polycyclic HERG activators NOVARTIS AG (CH) 2016-02-09 — — US disclosed
US-9255093-B2 Polycyclic HERG activators NOVARTIS AG (CH) 2016-02-09 — — US disclosed
US-20150299181-A1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG (CH) 2015-10-22 — — US disclosed
US-20150299181-A1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG (CH) 2015-10-22 — — US disclosed
US-20150299181-A1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG (CH) 2015-10-22 — — US disclosed
WO-2015161052-A1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG (CH) 2015-10-22 — — WO disclosed
WO-2015161052-A1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG (CH) 2015-10-22 — — 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 (2 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-20160108025-A1 POLYCYCLIC HERG ACTIVATORS KCNH3, KCNH2, KCNJ11 ALDH1A1 1847/4885SMN1; SMN2 3849/4885LMNA 1186/4885
US-20150299181-A1 POLYCYCLIC HERG ACTIVATORS KCNH3, KCNH2, KCNJ11 ALDH1A1 1847/4885SMN1; SMN2 3849/4885LMNA 1186/4885

“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.

Send feedback