SCHEMBL5148694

SCHEMBL5148694

O=C(CBr)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 3/20 0.57
HPGD P15428 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.51
SLC6A9 P48067 3/20 0.49
LMNA P02545 3/20 0.49
SLC6A5 Q9Y345 2/20 0.49
MDM4 O15151 1/20 0.49
MAPT P10636 1/20 0.49
MDM2 Q00987 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HPGDS O60760 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL5834057 0.82 TSHR (0.62) TSHRALDH1A1KMT2AHPGDL3MBTL1
SCHEMBL9754281 0.82 TSHR (0.62) TSHRALDH1A1KMT2AHPGDL3MBTL1
SCHEMBL23122282 0.81 MAPT (0.63) ALDH1A1KMT2AHPGDL3MBTL1MEN1
SCHEMBL6426547 0.81 MAPT (0.63) ALDH1A1KMT2AHPGDL3MBTL1MEN1
SCHEMBL11265966 0.81 FPR2 (0.51) ALDH1A1KMT2AMEN1LMNA
SCHEMBL31618280 0.81 MAPT (0.63) ALDH1A1KMT2AHPGDL3MBTL1MEN1
SCHEMBL4184595 0.80 TSHR (0.61) TSHRALDH1A1KMT2AHPGDL3MBTL1
SCHEMBL14263838 0.80 TSHR (0.66) TSHRALDH1A1KMT2AHPGDL3MBTL1
SCHEMBL6289427 0.80 TSHR (0.61) TSHRALDH1A1KMT2AHPGDL3MBTL1
SCHEMBL4665022 0.80 ALDH1A1 (0.62) TSHRALDH1A1KMT2AHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710232-B2 Imidazole derivatives used as TAFIa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-04-29 US disclosed
EP-1864979-A1 Imidazole-derivatives as TAFAIa-inhibitors Sanofi-Aventis Deutschland GmbH (DE) 2007-12-12 EP disclosed
US-20070129341-A1 IMIDAZOLE DERIVATIVES USED AS TAFIA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-07 US disclosed
EP-1740569-A1 IMIDAZOLE DERIVATIVES USED AS TAFIA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 EP disclosed
WO-2005105781-A1 IMIDAZOLE DERIVATIVES USED AS TAFIA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-11-10 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-20070129341-A1 IMIDAZOLE DERIVATIVES USED AS TAFIA INHIBITORS TFPI, TFPI2, SERPINC1 TSHR 846/4885ALDH1A1 1472/4885KMT2A 4014/4885

“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.