SCHEMBL21034528

SCHEMBL21034528

ICc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 2/20 0.33
DCUN1D2 Q6PH85 1/20 0.33
GP6 Q9HCN6 1/20 0.32
AGTR1 P30556 5/20 0.31
AGTR2 P50052 5/20 0.31
FYN P06241 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
SCHEMBL1773521 0.86 FYN (0.39) DCUN1D1DCUN1D2AGTR1AGTR2FYN
SCHEMBL3376281 0.84 TRPA1 (0.35) DCUN1D1DCUN1D2GP6AGTR1AGTR2
SCHEMBL1132111 0.84 TAAR1 (0.43)
SCHEMBL6962635 0.84 AKT1 (0.36) DCUN1D1DCUN1D2GP6AGTR1AGTR2
SCHEMBL6955822 0.84 TP53 (0.41) AGTR1AGTR2
SCHEMBL29366164 0.84 TRPA1 (0.35) DCUN1D1DCUN1D2GP6AGTR1AGTR2
SCHEMBL6956494 0.83 TDP1 (0.40) DCUN1D1DCUN1D2GP6
Hydrochloric Acid SCHEMBL1131050 0.83 AKT2 (0.42)
SCHEMBL6961100 0.82 NPC1 (0.39) AGTR1AGTR2
SCHEMBL6962359 0.82 MAOB (0.50) GP6

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-10300471-B2 Ruthenium-catalyzed synthesis of biaryl compounds in water CHICAGO DISCOVERY SOLUTIONS, LLC 2019-05-28 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-10300471-B2 Ruthenium-catalyzed synthesis of biaryl compounds in water RUVBL2, RUVBL1, CYP2W1 DCUN1D1 730/4885DCUN1D2 521/4885GP6 2772/4885

“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.