SCHEMBL19915656

SCHEMBL19915656

CCCn1nnc2ccc(C#N)cc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.55
HCAR3 P49019 1/20 0.46
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
CYP17A1 P05093 1/20 0.42
CYP11B2 P19099 4/20 0.40
CYP11B1 P15538 3/20 0.40
ALDH1A1 P00352 1/20 0.40
GRM2 Q14416 1/20 0.40
KMO O15229 1/20 0.40
ACSS2 Q9NR19 1/20 0.39
PRKDC P78527 1/20 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
SCHEMBL19848442 0.91 SLC9A1 (0.57) SLC9A1HCAR3GLATSHRCYP11B2
SCHEMBL19915945 0.88 HCAR3 (0.56) SLC9A1HCAR3GLATSHRCYP17A1
SCHEMBL6187558 0.88 SLC9A1 (0.53) SLC9A1HCAR3GLATSHRCYP11B2
SCHEMBL19915673 0.82 SLC9A1 (0.46) SLC9A1HCAR3GLATSHR
SCHEMBL17103014 0.82 GLA (0.40) SLC9A1GLATSHRCYP11B2CYP11B1
SCHEMBL19848164 0.81 SLC9A1 (0.45) SLC9A1HCAR3
SCHEMBL19848267 0.81 TSHR (0.43) SLC9A1GLATSHRCYP11B2CYP11B1
SCHEMBL17103041 0.81 SLC9A1 (0.52) SLC9A1HCAR3GLATSHRCYP11B2
SCHEMBL19848264 0.81 CYP11B2 (0.41) SLC9A1HCAR3GLATSHRCYP11B2
SCHEMBL29342227 0.81 MAPT (0.44) SLC9A1GLATSHRCYP11B2CYP11B1

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 3 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

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-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery BPTF, BRD4, KCNN2 SLC9A1 341/4885HCAR3 4636/4885GLA 4099/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 SLC9A1 341/4885HCAR3 4636/4885GLA 4099/4885

“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.