SCHEMBL19911468

SCHEMBL19911468

Cc1cccc2c1nnn2-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DCTPP1 Q9H773 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NT5E P21589 1/20 0.40
TSHR P16473 2/20 0.39
RAB9A P51151 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP1A2 P05177 1/20 0.38
TP53 P04637 2/20 0.38
ALOX12 P18054 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL19848580 0.86 ALDH1A1 (0.41) ALDH1A1HTTL3MBTL1LMNASMN1; SMN2
SCHEMBL10882378 0.79 NPC1 (0.50) ALDH1A1HTTNPC1KDM4EL3MBTL1
SCHEMBL2903449 0.79 KCNMA1 (0.45) ALDH1A1HTTNPC1KDM4EL3MBTL1
SCHEMBL10825780 0.79 GRM2 (0.46) ALDH1A1HTTNPC1KDM4EL3MBTL1
SCHEMBL31409135 0.77 NPC1 (0.50) ALDH1A1HTTNPC1LMNASMN1; SMN2
SCHEMBL19915701 0.75 NT5E (0.38) ALDH1A1HTTL3MBTL1LMNASMN1; SMN2
SCHEMBL5014454 0.74 KDM4E (0.40) ALDH1A1HTTNPC1KDM4EL3MBTL1
SCHEMBL256210 0.73 SLC9A1 (0.50) ALDH1A1NPC1KDM4ELMNASMN1; SMN2
SCHEMBL30036706 0.73 SLC9A1 (0.50) ALDH1A1NPC1KDM4ELMNASMN1; SMN2
SCHEMBL20888787 0.72 FLT3 (0.38) ALDH1A1LMNASMN1; SMN2TSHRCYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 ALDH1A1 3497/4885HTT 1107/4885NPC1 2529/4885

“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.