SCHEMBL3579197

SCHEMBL3579197

COc1cccc2[nH]ccc(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
GAA P10253 2/20 0.49
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 5/20 0.47
POLB P06746 2/20 0.47
ALOX15 P16050 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR2A P28223 3/20 0.46
HTR6 P50406 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
NPC1 O15118 1/20 0.43
HCRTR1 O43613 1/20 0.43

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
SCHEMBL30688528 1.00 ABCG2 (0.49) ABCG2MEN1KMT2AGAACYP1A2
SCHEMBL7293260 0.76 MTNR1A (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL5739495 0.76 HTR1A (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL16431528 0.76 IMPDH2 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL4500573 0.76 ABCG2 (0.49) ABCG2MEN1KMT2AGAACYP1A2
SCHEMBL20886729 0.76 CYP1A2 (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7291781 0.75 MTNR1A (0.38) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10158695 0.74 CCR8 (0.47) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL321761 0.73 RHEB (0.54) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL29445066 0.73 RHEB (0.54) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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 ABCG2 287/4885MEN1 1338/4885KMT2A 4743/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS ABCG2 306/4885MEN1 3662/4885KMT2A 4834/4885

“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.