SCHEMBL2409020

SCHEMBL2409020

CC(B(Oc1ccccc1)c1cccc2ccccc12)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.35
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HTR1B P28222 2/20 0.33
HTR1D P28221 1/20 0.33
PPARG P37231 4/20 0.33
PPARA Q07869 4/20 0.33
KCNA3 P22001 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
AOC3 Q16853 1/20 0.32

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
SCHEMBL2406181 0.74 ACP3 (0.42) SIGMAR1HTR1B
SCHEMBL5952980 0.72 KCNA3 (0.41) SIGMAR1SLC6A4KCNA3CYP1A2
SCHEMBL5951630 0.67 KDM4E (0.39) HTR1BCYP1A2CYP2C19
SCHEMBL1265002 0.65 ALDH1A1 (0.50) SIGMAR1HTR1BHTR1DCYP1A2CYP2D6
SCHEMBL30155141 0.65 ALDH1A1 (0.50) SIGMAR1HTR1BHTR1DCYP1A2CYP2D6
SCHEMBL1477784 0.62 ALDH1A1 (0.42) KCNA3CYP1A2CYP2C19
SCHEMBL24012376 0.61 ALDH1A1 (0.48) SIGMAR1CYP1A2CYP2D6CYP2C19
SCHEMBL5601608 0.61 ALDH1A1 (0.48) SIGMAR1CYP1A2
SCHEMBL29391558 0.61 ALDH1A1 (0.48) SIGMAR1CYP1A2
SCHEMBL29555556 0.61 ALDH1A1 (0.48) SIGMAR1CYP1A2CYP2D6CYP2C19

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
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 SIGMAR1 2136/4885SLC6A4 4662/4885SLC6A3 4461/4885

“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.