SCHEMBL9414768

SCHEMBL9414768

C=CCNC(=O)Nc1ccccc1C#N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.61
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 4/20 0.56
GLA P06280 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.51
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
CYP1A2 P05177 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 1/20 0.49
CXCR2 P25025 1/20 0.49
HPGD P15428 1/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL31498845 0.80 GAA (0.62) GAAKDM4EALDH1A1GLAL3MBTL1
SCHEMBL11367485 0.78 LMNA (0.51) GAAKDM4EALDH1A1L3MBTL1CA1
SCHEMBL6693713 0.78 GAA (0.59) GAAKDM4EALDH1A1GLAL3MBTL1
SCHEMBL31171944 0.76 GAA (0.57) GAAKDM4EALDH1A1GLAL3MBTL1
SCHEMBL9864530 0.76 GAA (0.57) GAAKDM4EALDH1A1GLAL3MBTL1
SCHEMBL3618684 0.76 KDM4E (0.56) GAAKDM4EALDH1A1GLAL3MBTL1
SCHEMBL8701345 0.76 CFD (0.63) GAAKDM4EALDH1A1L3MBTL1CA12
SCHEMBL11852070 0.75 NLRP3 (0.60) GAAKDM4EALDH1A1GLAL3MBTL1
SCHEMBL1649522 0.74 EPHX1 (0.59) KDM4EALDH1A1SMN1; SMN2TSHRHPGD
SCHEMBL6858019 0.73 GAA (0.66) GAAKDM4EALDH1A1GLAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260128361-A1 FUNCTIONAL ALIPHATIC AND/OR AROMATIC AMINE COMPOUNDS OR DERIVATIVES AS ELECTROLYTE ADDITIVES TO REDUCE GAS GENERATION IN LI-ION BATTERIES ENEVATE CORP (US) 2026-05-07 US disclosed
US-12438181-B2 Functional aliphatic and/or aromatic amine compounds or derivatives as electrolyte additives to reduce gas generation in Li-ion batteries ENEVATE CORPORATION (US) 2025-10-07 US disclosed
US-20210328256-A1 FUNCTIONAL ALIPHATIC AND/OR AROMATIC AMINE COMPOUNDS OR DERIVATIVES AS ELECTROLYTE ADDITIVES TO REDUCE GAS GENERATION IN LI-ION BATTERIES ENEVATE CORPORATION 2021-10-21 US disclosed
US-20210328256-A1 FUNCTIONAL ALIPHATIC AND/OR AROMATIC AMINE COMPOUNDS OR DERIVATIVES AS ELECTROLYTE ADDITIVES TO REDUCE GAS GENERATION IN LI-ION BATTERIES ENEVATE CORPORATION 2021-10-21 US disclosed
WO-2021194742-A1 FUNCTIONAL ALIPHATIC AND/OR AROMATIC AMINE COMPOUNDS OR DERIVATIVES AS ELECTROLYTE ADDITIVES TO REDUCE GAS GENERATION IN LI-ION BATTERIES ENEVATE CORPORATION (US) 2021-09-30 WO disclosed
WO-2021194742-A1 FUNCTIONAL ALIPHATIC AND/OR AROMATIC AMINE COMPOUNDS OR DERIVATIVES AS ELECTROLYTE ADDITIVES TO REDUCE GAS GENERATION IN LI-ION BATTERIES ENEVATE CORPORATION (US) 2021-09-30 WO disclosed
US-11018371-B1 Functional aliphatic and/or aromatic amine compounds or derivatives as electrolyte additives to reduce gas generation in li-ion batteries ENEVATE CORPORATION (US) 2021-05-25 US disclosed
EP-0594877-A1 Imidazo(1,2-c)quinazoline derivates as antihyper tensives and anti dysurics NATIONAL SCIENCE COUNCIL (TW) 1994-05-04 EP disclosed
US-5158953-A 2-substituted methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5(6H)-ones (thiones), the preparation and use thereof NATIONAL SCIENCE COUNCIL (TW) 1992-10-27 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-20260128361-A1 FUNCTIONAL ALIPHATIC AND/OR AROMATIC AMINE COMPOUNDS OR DERIVATIVES AS ELECTROLYTE ADDITIVES TO REDUCE GAS GENERATION IN LI-ION BATTERIES LAGE3, ROS1, CACNA2D3 GAA 2612/4885KDM4E 210/4885ALDH1A1 863/4885

“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.