SCHEMBL19211567

SCHEMBL19211567

COc1ncc2ccc(=O)n(CCC=O)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.48
CYP3A4 P08684 7/20 0.46
ALDH1A1 P00352 5/20 0.46
TSHR P16473 5/20 0.46
CYP2C19 P33261 4/20 0.46
USP2 O75604 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2D6 P10635 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
CDK4 P11802 9/20 0.45
CCND1 P24385 9/20 0.45
CCND2 P30279 9/20 0.45
CCND3 P30281 9/20 0.45
HPGD P15428 1/20 0.42
CCNB2 O95067 2/20 0.42
CCNE2 O96020 2/20 0.42
CDK1 P06493 2/20 0.42
FGFR1 P11362 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNA2 P20248 2/20 0.42

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
SCHEMBL4136624 0.86 CDK4 (0.44) CYP1A2CYP3A4ALDH1A1TSHRCYP2C19
SCHEMBL19211573 0.80 KCNH2 (0.43) CYP1A2CDK4CCND1CCND2CCND3
SCHEMBL19211612 0.79 CYP1A2 (0.45) CYP1A2CYP3A4ALDH1A1TSHRCYP2C19
SCHEMBL19231463 0.77 CYP1A2 (0.62) CYP1A2CYP3A4ALDH1A1TSHRCYP2C19
SCHEMBL15850811 0.75 CYP1A2 (0.41) CYP1A2CYP3A4ALDH1A1TSHRCYP2C19
SCHEMBL19211574 0.74 CDK4 (0.44) CYP1A2CYP3A4ALDH1A1TSHRCYP2C19
SCHEMBL4135768 0.74 CYP1A2 (0.50) CYP1A2CYP3A4ALDH1A1TSHRCYP2C19
SCHEMBL19250279 0.71 CDK4 (0.41) CYP1A2CYP3A4ALDH1A1TSHRCYP2C19
SCHEMBL20710554 0.71 CDK4 (0.54) CYP1A2ALDH1A1TSHRCLK4CDK4
SCHEMBL15850855 0.70 KCNH2 (0.48) CYP1A2CYP3A4ALDH1A1TSHRCYP2C19

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
US-20210179636-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2021-06-17 US disclosed
EP-3414246-A1 ANTIBACTERIAL COMPOUNDS Redx Pharma PLC (GB) 2018-12-19 EP disclosed
WO-2017137743-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-08-17 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-20210179636-A1 ANTIBACTERIAL COMPOUNDS OXA1L, SYMPK, TBCD CYP1A2 523/4885CYP3A4 557/4885ALDH1A1 2206/4885

“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.