SCHEMBL19425313

SCHEMBL19425313

CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(CCCO)C(=O)C(/C=N/C)=C3C)o2)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.62
ALDH1A1 P00352 6/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
XPA P23025 8/20 0.53
GSK3A P49840 3/20 0.53
GSK3B P49841 3/20 0.53
KDM4E B2RXH2 5/20 0.49
HPGD P15428 3/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
KMT2A Q03164 5/20 0.49
POLB P06746 5/20 0.49
MEN1 O00255 4/20 0.49
RECQL P46063 3/20 0.49
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MCL1 Q07820 2/20 0.49
APEX1 P27695 2/20 0.48
NTSR1 P30989 1/20 0.48
GALK1 P51570 1/20 0.48

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
SCHEMBL19419927 0.86 ESR2 (0.69) ESR2ALDH1A1SMN1; SMN2XPAGSK3A
SCHEMBL8290360 0.86 ESR2 (0.81) ESR2ALDH1A1SMN1; SMN2XPAGSK3A
SCHEMBL8291240 0.81 ESR2 (0.84) ESR2ALDH1A1SMN1; SMN2XPAGSK3A
SCHEMBL8290432 0.80 ESR2 (0.72) ESR2ALDH1A1SMN1; SMN2XPAGSK3A
SCHEMBL8291360 0.78 ALDH1A1 (0.59) ESR2ALDH1A1SMN1; SMN2XPAGSK3A
SCHEMBL13708915 0.76 ESR2 (0.62) ESR2ALDH1A1SMN1; SMN2XPAGSK3A
SCHEMBL8291312 0.76 KMT2A (0.72) ESR2ALDH1A1SMN1; SMN2XPAGSK3A
SCHEMBL8291279 0.76 ESR2 (0.66) ESR2ALDH1A1XPAKDM4EHPGD
SCHEMBL12311905 0.75 ESR2 (0.78) ESR2ALDH1A1SMN1; SMN2XPAGSK3A
SCHEMBL14584108 0.73 ESR2 (0.62) ESR2ALDH1A1XPAKDM4EHPGD

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-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 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 (3 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 ESR2 806/4885ALDH1A1 545/4885SMN1; SMN2 595/4885
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders MCL1, BCL2, BCL2L1 ESR2 2704/4885ALDH1A1 2862/4885SMN1; SMN2 2677/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA ESR2 819/4885ALDH1A1 194/4885SMN1; SMN2 839/4885

“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.