SCHEMBL5464227

SCHEMBL5464227

CC(C)c1ccc(NC(=O)c2c[c]ccc2O)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ P2RX4 Q99571 2/20 0.41
▸ P2RX7 Q99572 2/20 0.41
▸ PLG P00747 2/20 0.39
▸ KLK1 P06870 2/20 0.39
▸ KLK6 Q92876 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPT P10636 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36

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
SCHEMBL14363412 0.80 LMNA (0.47) MEN1KMT2AGAAHPGDLMNA
SCHEMBL3983979 0.72 CA1 (0.55) MEN1KMT2AGAAHPGDLMNA
SCHEMBL5461267 0.71 KCNMA1 (0.56) MEN1KMT2AGAALMNAMAPT
SCHEMBL5465173 0.70 LMNA (0.51) MEN1KMT2AHPGDLMNAPOLB
SCHEMBL4826296 0.70 P2RX4 (0.49) MEN1KMT2AGAAHPGDLMNA
SCHEMBL15160055 0.70 P2RX4 (0.49) MEN1KMT2AGAAHPGDLMNA
SCHEMBL17027092 0.69 P2RX4 (0.51) MEN1KMT2AGAAHPGDLMNA
SCHEMBL13516845 0.69 P2RX4 (0.48) MEN1KMT2AGAAHPGDLMNA
SCHEMBL5462668 0.69 TAS1R3 (0.52) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL5391295 0.68 ALDH1A1 (0.49) KMT2AGAAHPGDLMNAP2RX4

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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 — — US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 — — EP 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 MEN1 2892/4885KMT2A 2948/4885GAA 2285/4885

“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.

Send feedback