SCHEMBL2201868

SCHEMBL2201868

CN(C)c1ccc(N2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
MAPT P10636 4/20 0.51
ALOX15 P16050 3/20 0.51
HSD17B10 Q99714 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
NPC1 O15118 2/20 0.51
USP2 O75604 2/20 0.51
POLB P06746 2/20 0.51
HTT P42858 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
HPGD P15428 1/20 0.51
CHKA P35790 2/20 0.51
TSHR P16473 1/20 0.50
SLC2A1 P11166 1/20 0.49
KDM4E B2RXH2 5/20 0.48
GAA P10253 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 2/20 0.48

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
SCHEMBL27363365 0.98 ALDH1A1 (0.53) ALDH1A1MAPTALOX15HSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL27659481 0.96 ALDH1A1 (0.55) ALDH1A1MAPTALOX15HSD17B10L3MBTL1
SCHEMBL30408019 0.95 ALDH1A1 (0.51) ALDH1A1MAPTALOX15HSD17B10L3MBTL1
SCHEMBL9658891 0.89 SLC2A1 (0.49) ALDH1A1MAPTALOX15HSD17B10L3MBTL1
SCHEMBL10473803 0.86 MEN1 (0.56) ALDH1A1MAPTALOX15HSD17B10L3MBTL1
SCHEMBL9030925 0.84 ALDH1A1 (0.50) ALDH1A1MAPTALOX15HSD17B10L3MBTL1
SCHEMBL14982059 0.84 RAB9A (0.54) ALDH1A1MAPTALOX15HSD17B10L3MBTL1
SCHEMBL22198146 0.84 SLC2A1 (0.59) ALDH1A1MAPTALOX15HSD17B10L3MBTL1
SCHEMBL10473357 0.84 MEN1 (0.54) ALDH1A1MAPTALOX15HSD17B10L3MBTL1
SCHEMBL10472949 0.84 MEN1 (0.54) ALDH1A1MAPTALOX15HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113646899-B n-type semiconductor element, method for manufacturing n-type semiconductor element, wireless communication device, and commodity tag 东丽株式会社 2024-03-12 CN disclosed
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 US disclosed
EP-2007733-B1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS MSD ITALIA SRL (IT) 2016-05-25 EP disclosed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2015-01-22 US disclosed
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-18 US disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
US-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-11-05 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US disclosed
EP-2007733-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-12-31 EP disclosed
EP-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 EP disclosed
WO-2007113596-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-10-11 WO disclosed
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed
US-4840879-A COLORED LATENT IMAGE IS REACTION PRODUCT OF COUPLER AND AROMATIC PRIMARY AMINO COLOR DEVELOPER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1989-06-20 US disclosed
EP-0089101-A2 Direct positive image-forming process KONICA CORPORATION (JP) 1983-09-21 EP 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 (4 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 ALDH1A1 398/4885MAPT 1028/4885ALOX15 3282/4885
US-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 ALDH1A1 325/4885MAPT 51/4885ALOX15 1154/4885
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 ALDH1A1 325/4885MAPT 51/4885ALOX15 1154/4885
US-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP2, MMP14 ALDH1A1 497/4885MAPT 2732/4885ALOX15 642/4885

“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.