SCHEMBL22039183

SCHEMBL22039183

O=C/C=C/c1cc(Cl)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ NFE2L2 Q16236 5/20 0.39
▸ CDK4 P11802 2/20 0.38
▸ CCND1 P24385 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ XDH P47989 1/20 0.33
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCNB3 Q8WWL7 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL21676102 0.86 TDP1 (0.44) ERN1TDP1NFE2L2CDK4CCND1
SCHEMBL16599459 0.86 TDP1 (0.44) ERN1TDP1NFE2L2CDK4CCND1
SCHEMBL31182057 0.82 NFE2L2 (0.57) ERN1NFE2L2CDK4CCND1ALDH1A1
SCHEMBL28908861 0.82 TDP1 (0.47) ERN1TDP1CDK4CCND1ALDH1A1
SCHEMBL706361 0.82 NFE2L2 (0.57) ERN1NFE2L2CDK4CCND1ALDH1A1
SCHEMBL706360 0.82 NFE2L2 (0.57) ERN1NFE2L2CDK4CCND1ALDH1A1
SCHEMBL28908860 0.82 TDP1 (0.47) ERN1TDP1CDK4CCND1ALDH1A1
SCHEMBL42333 0.79 ERN1 (0.59) ERN1TDP1NFE2L2LMNAXDH
SCHEMBL29958016 0.79 ERN1 (0.59) ERN1TDP1NFE2L2LMNAXDH
SCHEMBL21676110 0.78 SMN1; SMN2 (0.42) ERN1NFE2L2CDK4CCND1ALDH1A1

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-20200165205-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 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 (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-20200165205-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS MAP3K19, MAP3K20, MAP3K1 ERN1 424/4885TDP1 2148/4885NFE2L2 1985/4885

“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.

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