SCHEMBL21979520

SCHEMBL21979520

CN(C(=O)O)[C@H](CO)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.41
BRD4 O60885 1/20 0.41
GABBR2 O75899 3/20 0.40
GABBR1 Q9UBS5 3/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
NFKB1 P19838 1/20 0.40
DRD3 P35462 1/20 0.40
BLM P54132 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL20660981 1.00 AOC3 (0.41) AOC3BRD4GABBR2GABBR1LMNA
SCHEMBL21979530 1.00 AOC3 (0.41) AOC3BRD4GABBR2GABBR1LMNA
SCHEMBL16333187 0.84 GAA (0.46) CYP3A4CYP2D6ALDH1A1CYP2C19TSHR
SCHEMBL18222240 0.79 SLC6A4 (0.38) BRD4GABBR2GABBR1LMNACYP2C9
SCHEMBL29944688 0.77 ABCB1 (0.46) LMNACYP2C9CYP3A4ALDH1A1RAB9A
SCHEMBL29944719 0.77 ABCB1 (0.46) LMNACYP2C9CYP3A4ALDH1A1RAB9A
SCHEMBL21798511 0.77 MTOR (0.45) AOC3BRD4GABBR2GABBR1LMNA
SCHEMBL21798508 0.77 MTOR (0.45) AOC3BRD4GABBR2GABBR1LMNA
SCHEMBL21979525 0.74 LMNA (0.35) AOC3LMNACYP3A4CYP2D6BLM
SCHEMBL21979527 0.74 LMNA (0.35) AOC3LMNACYP3A4CYP2D6BLM

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-11479533-B2 Inhibitors of Rho associated coiled-coil containing protein kinase KADMON CORPORATION, LLC (US) 2022-10-25 US disclosed
US-20200165206-A1 INHIBITORS OF RHO ASSOCIATED COILED-COIL CONTAINING PROTEIN KINASE KADMON CORPORATION, LLC 2020-05-28 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 (2 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-11479533-B2 Inhibitors of Rho associated coiled-coil containing protein kinase ROCK1, ROCK2, RHOT2 AOC3 3700/4885BRD4 1410/4885GABBR2 4000/4885
US-20200165206-A1 INHIBITORS OF RHO ASSOCIATED COILED-COIL CONTAINING PROTEIN KINASE ROCK1, ROCK2, RHOT2 AOC3 3700/4885BRD4 1410/4885GABBR2 4000/4885

“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.