SCHEMBL13610401

SCHEMBL13610401

N#Cc1ccc2c(c1)nnn2-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
NPC1 O15118 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 5/20 0.50
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 4/20 0.45
HPGD P15428 2/20 0.45
CCR6 P51684 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
DHODH Q02127 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL19848484 0.88 KDM4E (0.49) KDM4ENPC1L3MBTL1ALDH1A1GAA
SCHEMBL3552731 0.81 KDM4E (0.42) KDM4ENPC1L3MBTL1ALDH1A1GAA
SCHEMBL3552519 0.81 PKM (0.43) KDM4ENPC1L3MBTL1ALDH1A1GAA
SCHEMBL19967787 0.77 KDM4E (0.43) KDM4ENPC1L3MBTL1ALDH1A1MAPT
SCHEMBL3807006 0.76 NPC1 (0.66) KDM4ENPC1L3MBTL1ALDH1A1MAPT
SCHEMBL18167005 0.76 KDM4E (0.66) KDM4ENPC1L3MBTL1ALDH1A1GAA
SCHEMBL19911612 0.76 NPC1 (0.66) KDM4ENPC1L3MBTL1ALDH1A1MAPT
SCHEMBL19911581 0.76 NPC1 (1.00) KDM4ENPC1L3MBTL1ALDH1A1MAPT
SCHEMBL9505827 0.76 NPC1 (0.66) KDM4ENPC1L3MBTL1ALDH1A1MAPT
SCHEMBL19915954 0.75 GRM2 (0.60) KDM4ENPC1ALDH1A1GAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-08-25 US disclosed
EP-3467930-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-04-10 EP disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
EP-3279997-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2018-02-07 EP disclosed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 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 (3 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-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery BPTF, BRD4, KCNN2 KDM4E 2256/4885NPC1 2529/4885L3MBTL1 2127/4885
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, MC2R, NR3C2 KDM4E 4087/4885NPC1 1517/4885L3MBTL1 3685/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 KDM4E 2256/4885NPC1 2529/4885L3MBTL1 2127/4885

“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.