SCHEMBL21917834

SCHEMBL21917834

CCCCCCCC(CCCCC)Nc1cc(C(C)(C)C)n[nH]1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 6/20 0.35
▸ HPGD P15428 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ HCAR2 Q8TDS4 2/20 0.32
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ HCAR3 P49019 1/20 0.30
▸ MMP3 P08254 1/20 0.30

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
SCHEMBL21918093 0.73 HPGD (0.42) HPGDTSHRLMNA
SCHEMBL20682498 0.70 HPGD (0.42) HPGDTSHRLMNA
SCHEMBL20730399 0.66 ESR1 (0.40) HPGDTSHRLMNA
SCHEMBL23844586 0.65 HCAR3 (0.46) GPR84HCAR3
SCHEMBL29053956 0.62 LMNA (0.42) GPR84TSHRLMNA
SCHEMBL22000611 0.61 SMN1; SMN2 (0.42) LMNA
SCHEMBL14348299 0.60 OPRM1 (0.42) GPR84TSHRLMNA
SCHEMBL5875341 0.60 HDAC8 (0.44) CNR2
SCHEMBL17696535 0.60 CA12 (0.39) HPGDTSHR
SCHEMBL23861793 0.60 HDAC8 (0.44) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078185-B2 Mycobacterium tuberculosis—thioredoxin reductase inhibitor as an antitubercular agent TECHNISCHE UNIVERSITAT DORTMUND (DE) 2021-08-03 — — US 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 (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-20200123130-A1 Myobacterium Tuberculosis-Thioredoxin Reductase Inhibitor as an Antitubercular Agent TXNRD1, TXNRD3, TXNRD2 GPR84 4288/4885HPGD 209/4885TSHR 660/4885
US-11078185-B2 Mycobacterium tuberculosis—thioredoxin reductase inhibitor as an antitubercular agent TXNRD3, TXNRD1, TXN GPR84 4354/4885HPGD 156/4885TSHR 416/4885

“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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