SCHEMBL20447635

SCHEMBL20447635

C[C@H](N)c1ccc(C#N)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.38
CYP19A1 P11511 1/20 0.38
DPP7 Q9UHL4 1/20 0.36
CYP2A6 P11509 1/20 0.35
HTT P42858 2/20 0.35
S1PR3 Q99500 1/20 0.35
KCNJ1 P48048 3/20 0.35
KCNH2 Q12809 1/20 0.35
HPGD P15428 2/20 0.35
EGLN2 Q96KS0 1/20 0.34
PANK3 Q9H999 4/20 0.34
EGFR P00533 1/20 0.33
XDH P47989 1/20 0.33

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
SCHEMBL29872319 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL20447636 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL2737290 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL22538435 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL18175040 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL15486717 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL19574036 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL22481395 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL16311933 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL20582284 0.78 S1PR3 (0.39) ALDH1A1KDM4EL3MBTL1DPP7S1PR3

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
EP-3356344-B1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY ASTEX THERAPEUTICS LTD (GB) 2022-11-16 EP disclosed
CN-108473464-B Isoindolinone inhibitors of MDM2-P53 interaction with anti-cancer activity 阿斯泰克斯治疗有限公司 2022-08-23 CN disclosed
US-20220106287-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2022-04-07 US disclosed
US-11261171-B1 Isoindolinone inhibitors of the MDM2-P53 interaction having anticancer activity ASTEX THERAPEUTICS LIMITED (GB) 2022-03-01 US disclosed
US-20190055215-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2019-02-21 US disclosed
US-20190055215-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2019-02-21 US disclosed
EP-3356344-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY Astex Therapeutics Ltd (GB) 2018-08-08 EP 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-20220106287-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY TP53, MDM2, TP53BP1 ALDH1A1 1400/4885KDM4E 3817/4885L3MBTL1 3091/4885
US-20190055215-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY TP53, MDM2, TP53BP1 ALDH1A1 1400/4885KDM4E 3817/4885L3MBTL1 3091/4885
US-11261171-B1 Isoindolinone inhibitors of the MDM2-P53 interaction having anticancer activity TP53, MDM2, TP53BP1 ALDH1A1 1400/4885KDM4E 3817/4885L3MBTL1 3091/4885

“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.