SCHEMBL445048

SCHEMBL445048

CN(C)c1ccc(NC(=O)c2ccccn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.72
RAB9A P51151 10/20 0.72
SMN1; SMN2 Q16637 7/20 0.72
MAPT P10636 6/20 0.72
ALDH1A1 P00352 3/20 0.72
MAPK1 P28482 3/20 0.72
GAA P10253 3/20 0.72
LMNA P02545 2/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
RECQL P46063 1/20 0.72
MCL1 Q07820 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
TP53 P04637 2/20 0.71
KDM4E B2RXH2 2/20 0.71
MITF O75030 2/20 0.71
SNCA P37840 2/20 0.71
HPGD P15428 2/20 0.71
HTT P42858 2/20 0.71
MEN1 O00255 1/20 0.71
APP P05067 1/20 0.71

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
SCHEMBL13699335 0.92 MAPT (0.63) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL11719648 0.82 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL16592903 0.82 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL6037590 0.82 KDR (0.78) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL19476630 0.82 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL231897 0.81 KDR (0.78) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL28947571 0.80 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL29184186 0.80 KDR (0.76) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL1499654 0.80 HTT (0.63) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL30132679 0.80 MAPT (0.57) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed
EP-3792241-A1 METHOD FOR CONVERTING HYDROXYL GROUP OF ALCOHOL Takasago International Corporation (JP) 2021-03-17 EP disclosed
US-20210047254-A1 METHOD FOR CONVERTING HYDROXYL GROUP OF ALCOHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-02-18 US disclosed
WO-2019216355-A1 METHOD FOR CONVERTING HYDROXYL GROUP OF ALCOHOL 高砂香料工業株式会社 (JP) 2019-11-14 WO disclosed
CN-108430972-A α, β unsaturated acyl amine compounds 协和发酵麒麟株式会社 2018-08-21 CN disclosed
EP-2431353-B1 Process for preparing amine compound KANTO KAGAKU (JP) 2016-01-20 EP disclosed
EP-2431353-A1 Process for preparing amine compound Kanto Kagaku Kabushiki Kaisha (JP) 2012-03-21 EP disclosed
US-20120065426-A1 PROCESS FOR PREPARING AMINE COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-03-15 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 (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-20120065426-A1 PROCESS FOR PREPARING AMINE COMPOUND PNMT, HNMT, GNMT NPC1 1818/4885RAB9A 1737/4885SMN1; SMN2 3579/4885
US-20210047254-A1 METHOD FOR CONVERTING HYDROXYL GROUP OF ALCOHOL ADH1C, CBR1, NAP1L4 NPC1 1736/4885RAB9A 2827/4885SMN1; SMN2 2863/4885

“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.