SCHEMBL18666157

SCHEMBL18666157

O=C(CNC(=O)c1cccc2ccccc12)Nc1ccccc1Oc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ADRA2C P18825 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ CNR1 P21554 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ TAOK1 Q7L7X3 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ CYP19A1 P11511 1/20 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
SCHEMBL18666146 0.91 ADRA2C (0.54) ALDH1A1ADRA2CSMN1; SMN2L3MBTL1GAA
SCHEMBL29660113 0.91 ADRA2C (0.54) ALDH1A1ADRA2CSMN1; SMN2L3MBTL1GAA
SCHEMBL18666244 0.90 PREP (0.46) ADRA2CL3MBTL1GAAPOLBCYP19A1
SCHEMBL18666199 0.88 DEGS1 (0.49) ALDH1A1KDM4EADRA2CL3MBTL1GAA
SCHEMBL18666149 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL21675770 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EADRA2CL3MBTL1GAA
SCHEMBL18666094 0.85 RAB9A (0.47) ADRA2CHDAC2L3MBTL1GAAPOLB
SCHEMBL18666264 0.85 KDR (0.58) ALDH1A1KDM4EMAPTKDRL3MBTL1
SCHEMBL18666150 0.84 MTNR1B (0.47) ALDH1A1KDM4EADRA2CMAPTL3MBTL1
SCHEMBL18666152 0.84 KDR (0.53) ALDH1A1KDM4EHDAC2KDRMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023172880-A2 PCNA INHIBITORS AND USES THEREOF CITY OF HOPE (US) 2023-09-14 — — WO disclosed
US-11345656-B2 PCNA inhibitors CITY OF HOPE (US) 2022-05-31 — — US disclosed
US-20210078938-A1 PCNA INHIBITORS THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE ARMY 2021-03-18 — — US disclosed
US-10913706-B2 PCNA inhibitors CITY OF HOPE (US) 2021-02-09 — — US disclosed
US-20200216386-A1 PCNA INHIBITORS UNITED STATES GOVERNMENT 2020-07-09 — — US disclosed
US-10550070-B2 PCNA inhibitors CITY OF HOPE (US) 2020-02-04 — — US disclosed
WO-2017049206-A1 PCNA INHIBITORS CITY OF HOPE (US) 2017-03-23 — — 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 (5 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-10913706-B2 PCNA inhibitors PCNA, MKI67, PCLAF ALDH1A1 3079/4885KDM4E 2125/4885ADRA2C 4716/4885
US-20210078938-A1 PCNA INHIBITORS PCNA, MKI67, PCLAF ALDH1A1 3079/4885KDM4E 2125/4885ADRA2C 4716/4885
US-11345656-B2 PCNA inhibitors PCNA, MKI67, PCLAF ALDH1A1 3079/4885KDM4E 2125/4885ADRA2C 4716/4885
US-10550070-B2 PCNA inhibitors PCNA, MKI67, PCLAF ALDH1A1 3079/4885KDM4E 2125/4885ADRA2C 4716/4885
US-20200216386-A1 PCNA INHIBITORS PCNA, MKI67, PCLAF ALDH1A1 3079/4885KDM4E 2125/4885ADRA2C 4716/4885

“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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