SCHEMBL3575595

SCHEMBL3575595

COc1ccc(Br)c2[nH]ccc(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.41
KDM4E B2RXH2 3/20 0.38
NQO2 P16083 2/20 0.38
CYP19A1 P11511 1/20 0.38
CCR8 P51685 1/20 0.37
BRD4 O60885 1/20 0.36
KMT2A Q03164 4/20 0.36
CYP1A1 P04798 4/20 0.36
CYP1B1 Q16678 3/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 2/20 0.36
ERN1 O75460 1/20 0.36
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
S1PR4 O95977 1/20 0.34

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
SCHEMBL10158695 0.86 CCR8 (0.47) MAPTALDH1A1HPGDKDM4ENQO2
SCHEMBL5738990 0.78 BRD4 (0.36) MAPTALDH1A1HPGDNQO2CYP19A1
SCHEMBL7293483 0.78 ALDH1A1 (0.37) MAPTALDH1A1HPGDKDM4ENQO2
SCHEMBL27012541 0.75 CCR8 (0.36) MAPTALDH1A1HPGDCCR8KMT2A
SCHEMBL594175 0.75 BRD4 (0.40) ALDH1A1HPGDKDM4ENQO2BRD4
SCHEMBL6537669 0.75 LMNA (0.51) MAPTALDH1A1KDM4ENQO2CYP19A1
SCHEMBL7283811 0.75 BRD4 (0.40) MAPTALDH1A1HPGDKDM4EBRD4
SCHEMBL7293514 0.75 NQO2 (0.46) MAPTALDH1A1HPGDKDM4ENQO2
SCHEMBL29980470 0.74 CCR8 (0.45) ALDH1A1KDM4ECCR8KMT2APOLB
SCHEMBL27238854 0.74 CCR8 (0.41) ALDH1A1KDM4ECCR8KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 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-20060189604-A1 Compounds ELANE, PIGS, SDHA MAPT 4179/4885ALDH1A1 2290/4885HPGD 51/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS MAPT 4602/4885ALDH1A1 2504/4885HPGD 98/4885

“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.