SCHEMBL21611928

SCHEMBL21611928

O=C(Nc1ccnc(C(F)(F)F)c1)OCc1cnc(Br)s1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMARCA2 P51531 2/20 0.49
▸ SMARCA4 P51532 2/20 0.49
▸ HDAC4 P56524 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MALT1 Q9UDY8 7/20 0.40
▸ HTT P42858 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MGLL Q99685 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL21611922 0.80 SMARCA2 (0.49) MAPTLMNASMARCA2SMARCA4HDAC4
SCHEMBL21612045 0.76 CYP2C19 (0.53) SMARCA2SMARCA4HDAC4HDAC6MALT1
SCHEMBL22125283 0.75 SMARCA2 (0.60) SMARCA2SMARCA4HDAC4HDAC6MALT1
SCHEMBL21614653 0.71 SMARCA2 (0.60) SMARCA2SMARCA4HDAC4HDAC6MALT1
SCHEMBL24258153 0.70 SMARCA2 (0.59) SMARCA2SMARCA4HDAC4HDAC6MALT1
SCHEMBL2641039 0.70 SMARCA2 (0.59) SMARCA2SMARCA4HDAC4HDAC6MALT1
SCHEMBL3616240 0.69 SMARCA2 (0.66) SMARCA2SMARCA4HDAC4HDAC6MALT1
SCHEMBL21611927 0.69 PDK1 (0.40) SMARCA2SMARCA4HDAC4HDAC6MALT1
SCHEMBL21611976 0.69 SMARCA2 (0.49) MAPTLMNAMEN1KMT2ASMARCA2
SCHEMBL16907423 0.69 SMARCA2 (0.58) MAPTSMARCA2SMARCA4MGLL

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-11883387-B2 PqsR inverse agonists Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2024-01-30 — — US disclosed
US-20210353606-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-11-18 — — US disclosed
EP-3818045-A1 PQSR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-05-12 — — EP disclosed
WO-2020007938-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-01-09 — — 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-11883387-B2 PqsR inverse agonists QRFPR, P2RY11, QARS1 MAPT 4857/4885LMNA 4546/4885MEN1 3460/4885
US-20210353606-A1 PqsR INVERSE AGONISTS QRFPR, P2RY11, QARS1 MAPT 4857/4885LMNA 4546/4885MEN1 3460/4885

“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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