SCHEMBL21918093

SCHEMBL21918093

CC(C)Nc1cc(C(C)(C)C)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ LMNA P02545 1/20 0.35
▸ GSK3B P49841 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL13045903 0.78 HPGD (0.46) HPGDTSHRLMNAMAPT
SCHEMBL20730399 0.77 ESR1 (0.40) HPGDTSHRLMNA
SCHEMBL13827584 0.74 TRPM8 (0.36) LMNAGSK3BL3MBTL1
SCHEMBL20682498 0.73 HPGD (0.42) HPGDTSHRLMNA
SCHEMBL21917834 0.73 GPR84 (0.35) HPGDTSHRLMNA
SCHEMBL20938923 0.71 MAPK14 (0.42) HPGDTSHRLMNAKDM4ENPC1
SCHEMBL1204717 0.69 HCAR2 (0.46) HPGDTSHRNPC1MAPTRAB9A
SCHEMBL13004470 0.69 HPGD (0.55) HPGDTSHRLMNAMAPT
SCHEMBL5207242 0.69 NPC1 (0.43) HPGDTSHRLMNANPC1MAPT
SCHEMBL16359170 0.69 HPGD (0.36) HPGDTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-09-23 — — US disclosed
US-11078185-B2 Mycobacterium tuberculosis—thioredoxin reductase inhibitor as an antitubercular agent TECHNISCHE UNIVERSITAT DORTMUND (DE) 2021-08-03 — — US disclosed
EP-3490983-B1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-02-17 — — EP disclosed
US-20200123130-A1 Myobacterium Tuberculosis-Thioredoxin Reductase Inhibitor as an Antitubercular Agent TECHNISCHE UNIVERSITAT DORTMUND (DE) 2020-04-23 — — US 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-20200123130-A1 Myobacterium Tuberculosis-Thioredoxin Reductase Inhibitor as an Antitubercular Agent TXNRD1, TXNRD3, TXNRD2 HPGD 209/4885TSHR 660/4885LMNA 3848/4885
US-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS TLR9, TLR7, TLR8 HPGD 4352/4885TSHR 633/4885LMNA 2699/4885
US-11078185-B2 Mycobacterium tuberculosis—thioredoxin reductase inhibitor as an antitubercular agent TXNRD3, TXNRD1, TXN HPGD 156/4885TSHR 416/4885LMNA 3934/4885

“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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