SCHEMBL19848744

SCHEMBL19848744

C=CCn1nnc2cc(F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.42
KCNMA1 Q12791 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HCAR3 P49019 4/20 0.37
PTK2 Q05397 2/20 0.36
AR P10275 1/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL19848593 0.87 GRM2 (0.42) GRM2PTK2ARRAB9ASMN1; SMN2
SCHEMBL19848208 0.81 KDM4E (0.46) GRM2ALDH1A1HCAR3RAB9ASMN1; SMN2
SCHEMBL19848519 0.81 NAMPT (0.43) KCNMA1HCAR3RAB9ASMN1; SMN2MEN1
SCHEMBL203857 0.81 SLC9A1 (0.44) GRM2KCNMA1HCAR3PTK2RAB9A
SCHEMBL19915658 0.80 PKM (0.55) GRM2KCNMA1ALDH1A1HCAR3SMN1; SMN2
SCHEMBL15822183 0.78 HCAR3 (0.38) HCAR3RAB9ASMN1; SMN2
SCHEMBL19911624 0.78 GRM2 (0.47) GRM2KCNMA1ALDH1A1HCAR3PTK2
SCHEMBL18323591 0.78 HCAR3 (0.58) GRM2KCNMA1ALDH1A1HCAR3RAB9A
SCHEMBL15822868 0.77 PRKDC (0.39) ALDH1A1HCAR3GLARAB9ASMN1; SMN2
SCHEMBL19911501 0.77 MAPT (0.44) ALDH1A1HCAR3PTK2RAB9ASMN1; SMN2

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 4 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

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 GRM2 2693/4885KCNMA1 525/4885ALDH1A1 3497/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 GRM2 2693/4885KCNMA1 525/4885ALDH1A1 3497/4885

“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.