SCHEMBL23638593

SCHEMBL23638593

CCc1nncn1C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PI4KA P42356 3/20 0.33
PI4K2B Q8TCG2 3/20 0.33
PI4K2A Q9BTU6 3/20 0.33
PI4KB Q9UBF8 3/20 0.33
ADORA2A P29274 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
WDR5 P61964 1/20 0.32
HCAR1 Q9BXC0 4/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 3/20 0.31
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
LMNA P02545 1/20 0.30

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
Hexazole SCHEMBL2111420 0.98 ALDH1A1 (0.35) ALDH1A1TDP1KDM4ENPC1RAB9A
SCHEMBL4783537 0.92 CBLB (0.33)
SCHEMBL22474026 0.75 MEN1 (0.37) ALDH1A1TDP1PI4KAPI4K2BPI4K2A
SCHEMBL9044107 0.73 RORC (0.37)
SCHEMBL22474028 0.73 PI4KA (0.37) ALDH1A1TDP1KDM4EPI4KAPI4K2B
Hydrochloric Acid SCHEMBL9046754 0.72 CBLB (0.30)
SCHEMBL32680234 0.71 ADORA2A (0.35) ALDH1A1NPC1PI4KAPI4K2BPI4K2A
SCHEMBL21783961 0.70 CCNT1 (0.39) ALDH1A1TDP1PI4KAPI4K2BPI4K2A
SCHEMBL8179609 0.69 PI4KA (0.37) ALDH1A1KDM4ENPC1RAB9API4KA
SCHEMBL6970733 0.69 PI4KA (0.37) ALDH1A1TDP1KDM4ENPC1RAB9A

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-20210213006-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES Seal Rock Therapeutics, Inc. 2021-07-15 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-20210213006-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES SNCA, MAPT, HTT ALDH1A1 2222/4885TDP1 9/4885KDM4E 2231/4885

“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.