SCHEMBL2791997

SCHEMBL2791997

ICc1nc2ccccc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.66
ASIC3 Q9UHC3 1/20 0.66
SMN1; SMN2 Q16637 7/20 0.56
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 1/20 0.56
MAPT P10636 4/20 0.53
HTT P42858 2/20 0.51
CYP1A2 P05177 2/20 0.51
ALOX15 P16050 1/20 0.51
CYP2C19 P33261 1/20 0.51
PDE10A Q9Y233 1/20 0.51
KMT2A Q03164 4/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL31275849 1.00 UBE2T (0.66) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL29406561 0.84 UBE2T (0.61) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL5154626 0.84 UBE2T (0.61) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL244156 0.83 UBE2T (0.66) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL226465 0.83 UBE2T (0.70) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL19372016 0.83 UBE2T (0.70) UBE2TASIC3SMN1; SMN2RAB9ANPC1
Bromide SCHEMBL7601035 0.81 UBE2T (0.68) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL6240191 0.80 UBE2T (0.61) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL22871618 0.80 SMN1; SMN2 (0.60) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL2205875 0.79 UBE2T (0.66) UBE2TASIC3SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113582985-B Mitochondrion targeted pH and viscosity dual-channel detection fluorescent probe and preparation method and application thereof 安徽大学 2022-09-13 CN claimed
CN-113582985-A Mitochondrion targeted pH and viscosity dual-channel detection fluorescent probe and preparation method and application thereof 安徽大学 2021-11-02 CN claimed
US-20240336868-A1 COMPOSITIONS COMPRISING ADAMANTYL ESTER-CONTAINING COMPOUNDS THE PROCTER & GAMBLE COMPANY 2024-10-10 US disclosed
CN-113582985-B Mitochondrion targeted pH and viscosity dual-channel detection fluorescent probe and preparation method and application thereof 安徽大学 2022-09-13 CN disclosed
CN-113582985-A Mitochondrion targeted pH and viscosity dual-channel detection fluorescent probe and preparation method and application thereof 安徽大学 2021-11-02 CN disclosed
WO-2014071283-A1 CEPHALOSPORIN DERIVATIVES AND METHODS OF USE UNIVERSITY OF KANSAS (US) 2014-05-08 WO disclosed
US-20100168167-A1 Piperidinones Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-07-01 US disclosed
CN-101679255-A The piperidines ketone that is used for inflammation treatment BIOLIPOX AB 2010-03-24 CN disclosed
EP-2134686-A1 PIPERIDINONES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2009-12-23 EP disclosed
WO-2008110793-A1 PIPERIDINONES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-09-18 WO disclosed
US-20070109376-A1 Ink composition, ink set and recording method FUJIFILM CORPORATION 2007-05-17 US disclosed
WO-2007047177-A1 ACYL INDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2007-04-26 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 (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-20100168167-A1 Piperidinones Useful in the Treatment of Inflammation ARG1, ARG2, PRMT1 UBE2T 2288/4885ASIC3 3988/4885SMN1; SMN2 1360/4885

“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.