SCHEMBL21394859

SCHEMBL21394859

CC(C)(C)OC(=O)Nc1ccc(Cc2cccc(Cl)c2)nn1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
PTGER1 P34995 2/20 0.45
CYP2C9 P11712 1/20 0.45
GLS O94925 16/20 0.45
CTSL P07711 1/20 0.44

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
SCHEMBL29353767 1.00 KDM4E (0.46) KDM4EPTGER1CYP2C9GLSCTSL
SCHEMBL29359351 0.81 EPHX2 (0.48) CYP2C9GLS
SCHEMBL25113458 0.81 SMN1; SMN2 (0.43) KDM4EPTGER1CYP2C9GLS
SCHEMBL30175552 0.81 SMN1; SMN2 (0.43) KDM4EPTGER1CYP2C9GLS
SCHEMBL29442824 0.81 CCR2 (0.50) KDM4EPTGER1CYP2C9CTSL
SCHEMBL29358615 0.81 CCR2 (0.50) KDM4EPTGER1CYP2C9CTSL
SCHEMBL21394568 0.81 CCR2 (0.50) KDM4EPTGER1CYP2C9CTSL
SCHEMBL26822836 0.80 GLS (0.42) GLS
SCHEMBL30672289 0.80 GLS (0.42) GLS
SCHEMBL21394815 0.77 PTGER1 (0.49) KDM4EPTGER1CYP2C9CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
US-20220298168-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-09-22 US disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 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 (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-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 KDM4E 1073/4885PTGER1 2592/4885CYP2C9 2172/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KDM4E 2853/4885PTGER1 2415/4885CYP2C9 1658/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 KDM4E 2853/4885PTGER1 2415/4885CYP2C9 1658/4885

“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.