SCHEMBL822764

SCHEMBL822764

c1ccc2c(c1)nnn2COCCCOCn1nnc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.56
GRM2 Q14416 2/20 0.53
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GLA P06280 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL501671 0.88 SLC9A1 (0.67) SLC9A1GRM2RAB9ANPC1MEN1
SCHEMBL31066857 0.88 SLC9A1 (0.67) SLC9A1GRM2RAB9ANPC1MEN1
SCHEMBL31667053 0.84 SLC9A1 (0.54) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL29479886 0.79 SLC9A1 (0.65) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL5017651 0.79 SLC9A1 (0.59) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL12001037 0.79 SLC9A1 (0.59) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL2488643 0.79 SLC9A1 (0.65) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL3463660 0.76 SLC9A1 (0.57) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL14796568 0.76 SLC9A1 (0.79) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL31234269 0.75 SLC9A1 (0.70) SLC9A1GRM2RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120008228-A1 MAGNETIC RECORDING MEDIA AND MAGNETIC RECORDING SYSTEM HITACHI, LTD. 2012-01-12 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-20120008228-A1 MAGNETIC RECORDING MEDIA AND MAGNETIC RECORDING SYSTEM NCS1, CA1, GRIN2A SLC9A1 477/4885GRM2 68/4885RAB9A 849/4885

“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.