SCHEMBL30820045

SCHEMBL30820045

N#CC(N)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
KEAP1 Q14145 1/20 0.40
AOC3 Q16853 1/20 0.39
CYP2A6 P11509 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADRA2A P08913 3/20 0.37
ADRA2B P18089 3/20 0.37
ADRA2C P18825 3/20 0.37
ADRA1A P35348 3/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1B P35368 2/20 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
SCHEMBL14201713 1.00 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
Hydrochloric Acid SCHEMBL15776039 0.98 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL4150801 0.81 MTNR1A (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL25155499 0.80 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL4822950 0.80 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL30344537 0.80 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL9391087 0.80 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL27346677 0.79 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL7595550 0.79 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
Hydrochloric Acid SCHEMBL10821050 0.78 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR

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
EP-4605386-A1 ANTI-VIRAL COMPOUNDS Aligos Therapeutics, Inc. (US) 2025-08-27 EP disclosed
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES Clear Creek Bio, Inc. (US) 2025-01-23 US disclosed
WO-2024086111-A1 ANTI-VIRAL COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2024-04-25 WO 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-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES ACE, PREP, PEPD ALDH1A1 2460/4885CYP1A2 2421/4885CYP2C9 1482/4885

“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.