SCHEMBL18136606

SCHEMBL18136606

Cc1ccc2ncn(C(C)(C)C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 2/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 2/20 0.40
FGFR1 P11362 1/20 0.40
TSHR P16473 1/20 0.40
TNF P01375 1/20 0.39
GAA P10253 2/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
HCAR1 Q9BXC0 2/20 0.38

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
SCHEMBL19911318 0.85 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL23042573 0.80 GAA (0.43) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL29612866 0.80 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL19848462 0.80 MAPT (0.40) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL3489965 0.80 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL19848135 0.80 MAPK13 (0.41) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL18211615 0.77 NPC1 (0.38) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL19848313 0.77 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL19848143 0.77 NPC1 (0.40) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL16154685 0.77 POLB (0.47) NPC1RAB9ASMN1; SMN2MAPTKDM4E

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
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US 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-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2016-11-10 US disclosed
WO-2016164641-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2016-10-13 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 (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 NPC1 2529/4885RAB9A 3611/4885SMN1; SMN2 3476/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 NPC1 2529/4885RAB9A 3611/4885SMN1; SMN2 3476/4885
US-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, MAP4K2, PLK1 NPC1 2140/4885RAB9A 1950/4885SMN1; SMN2 1690/4885

“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.