SCHEMBL21053197

SCHEMBL21053197

NNC(=O)c1cc(Br)ccc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.55
▸ AKR1C3 P42330 2/20 0.50
▸ AKR1C2 P52895 2/20 0.50
▸ TMPRSS4 Q9NRS4 1/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ TAS2R14 Q9NYV8 2/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ RXFP1 Q9HBX9 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ OGG1 O15527 1/20 0.41
▸ PTGS1 P23219 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ GFER P55789 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
SCHEMBL22571356 0.84 MPO (0.52) MPOAKR1C3AKR1C2TMPRSS4KDM1A
SCHEMBL22556313 0.81 AKR1C3 (0.46) MPOAKR1C3AKR1C2TMPRSS4SMN1; SMN2
SCHEMBL20553269 0.81 RXFP1 (0.58) AKR1C3AKR1C2TAS2R14SMN1; SMN2RXFP1
SCHEMBL21053183 0.80 MPO (0.51) MPOAKR1C3AKR1C2TMPRSS4KDM1A
SCHEMBL20766300 0.78 TEAD1 (0.53) AKR1C3AKR1C2KDM1AMAPTMEN1
SCHEMBL15638573 0.73 ALDH1A1 (0.50) MPOAKR1C3AKR1C2SMN1; SMN2MTOR
SCHEMBL31374699 0.72 AKR1C3 (0.41) AKR1C3AKR1C2RXFP1
SCHEMBL27035563 0.72 AKR1C3 (0.41) AKR1C3AKR1C2RXFP1
SCHEMBL17845892 0.71 TMPRSS4 (0.80) TMPRSS4SMN1; SMN2PTGS1MEN1KMT2A
SCHEMBL30771749 0.71 TMPRSS4 (0.80) TMPRSS4SMN1; SMN2PTGS1MEN1KMT2A

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-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 — — US disclosed
EP-3720430-A1 BENZOCARBONYL COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-10-14 — — EP disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 — — WO disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 — — 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 (1 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-11524943-B1 Benzocarbonyl compounds YAP1, TEAD2, TEAD3 MPO 3634/4885AKR1C3 4086/4885AKR1C2 3536/4885

“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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