SCHEMBL24414605

SCHEMBL24414605

CC(C)(C)OC(=O)NCCCn1ccc2ccc(C#N)cc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ TSHR P16473 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ USP2 O75604 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MCL1 Q07820 1/20 0.43
▸ CCNC P24863 2/20 0.43
▸ CDK8 P49336 2/20 0.43
▸ MTNR1A P48039 4/20 0.42
▸ MTNR1B P49286 4/20 0.42
▸ FPR2 P25090 1/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL9009161 0.85 MTNR1A (0.47) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208421 0.85 ALDH1A1 (0.41) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208368 0.85 CCNC (0.42) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL30991815 0.82 MTNR1A (0.42) MCL1MTNR1AMTNR1BHDAC6HDAC1
SCHEMBL24414562 0.82 MTNR1A (0.42) MCL1MTNR1AMTNR1BHDAC6HDAC1
SCHEMBL29208475 0.81 ALDH1A1 (0.56) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208381 0.79 ALDH1A1 (0.56) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29587490 0.79 ALDH1A1 (0.56) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208414 0.77 CCNC (0.38) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL17997425 0.77 MTNR1A (0.60) KDM4EMTNR1AMTNR1BHDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12281099-B2 Isoindolinone substituted indoles and derivatives as RAS inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-04-22 — — US disclosed
EP-3931188-B1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-08-30 — — EP disclosed
US-20220144810-A1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-12 — — US disclosed
US-20220144810-A1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-12 — — US disclosed
CN-113474340-A Novel isoindolinone substituted indoles and derivatives as RAS inhibitors 勃林格殷格翰国际有限公司 2021-10-01 — — CN 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-12281099-B2 Isoindolinone substituted indoles and derivatives as RAS inhibitors NRAS, KRAS, RASSF5 KDM4E 3489/4885ALDH1A1 1173/4885TSHR 2955/4885
US-20220144810-A1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS NRAS, RASSF5, KRAS KDM4E 3450/4885ALDH1A1 1281/4885TSHR 2845/4885

“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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