SCHEMBL19357854

SCHEMBL19357854

CN(C)c1cc(Br)c2c(c1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.42
▸ ESR2 Q92731 1/20 0.41
▸ NR1H2 P55055 2/20 0.41
▸ MAPK1 P28482 1/20 0.38
▸ DDB1 Q16531 2/20 0.38
▸ CRBN Q96SW2 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ABHD6 Q9BV23 1/20 0.38
▸ NAMPT P43490 3/20 0.36
▸ MMP13 P45452 1/20 0.35
▸ TGM2 P21980 1/20 0.35
▸ KRAS P01116 1/20 0.35
▸ TGFBR1 P36897 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL38653272 0.85 ESR2 (0.41) HDAC1ESR2NR1H2MAPK1DDB1
SCHEMBL30335960 0.83 ESR2 (0.53) HDAC1ESR2NR1H2MAPK1DDB1
SCHEMBL31336046 0.83 HDAC1 (0.44) HDAC1ESR2NR1H2MAPK1DDB1
SCHEMBL28970117 0.83 ESR2 (0.53) HDAC1ESR2NR1H2MAPK1DDB1
SCHEMBL30550460 0.82 HDAC1 (0.44) HDAC1ESR2NR1H2MAPK1DDB1
SCHEMBL19358156 0.82 NR1H2 (0.54) HDAC1ESR2NR1H2MAPK1DDB1
SCHEMBL29069135 0.82 HDAC1 (0.44) HDAC1ESR2NR1H2MAPK1DDB1
SCHEMBL19358065 0.81 HDAC1 (0.51) HDAC1ESR2NR1H2MAPK1DDB1
SCHEMBL19358052 0.81 LMNA (0.43) HDAC1ESR2NR1H2MAPK1DDB1
SCHEMBL29710293 0.81 LMNA (0.43) HDAC1ESR2NR1H2MAPK1DDB1

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
CN-108698992-B 2-cyanoisoindoline derivatives for the treatment of cancer 特殊治疗有限公司 2022-04-19 — — CN disclosed
EP-3429994-B1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LTD (GB) 2021-06-16 — — EP disclosed
US-10683269-B2 2-cyanoisoindoline derivatives for treating cancer MISSION THERAPEUTICS LIMITED (GB) 2020-06-16 — — US disclosed
EP-3429994-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER Mission Therapeutics Limited (GB) 2019-01-23 — — EP disclosed
US-20190010122-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2019-01-10 — — US disclosed
CN-108698992-A 2- cyano isoindoline derivatives for treating cancer 特殊治疗有限公司 2018-10-23 — — CN disclosed
WO-2017158388-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2017-09-21 — — 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 (2 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-20190010122-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER USP7, USP47, USP2 HDAC1 423/4885ESR2 2996/4885NR1H2 2297/4885
US-10683269-B2 2-cyanoisoindoline derivatives for treating cancer USP7, USP47, USP2 HDAC1 423/4885ESR2 2996/4885NR1H2 2297/4885

“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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