SCHEMBL6581767

SCHEMBL6581767

Cc1ccc2nc(CCl)n(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.43
FAAH O00519 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.37
NR1H2 P55055 7/20 0.37
ACSS2 Q9NR19 1/20 0.36
KCNH2 Q12809 1/20 0.35
NR1H3 Q13133 1/20 0.35

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
SCHEMBL18764834 0.90 FAAH (0.42) BRD4FAAHL3MBTL1NR1H2NR1H3
SCHEMBL6224033 0.88 BRD4 (0.44) BRD4FAAH
SCHEMBL30828711 0.88 BRD4 (0.44) BRD4FAAH
SCHEMBL368032 0.83 CYP1A2 (0.45) FAAHL3MBTL1NR1H2NR1H3
SCHEMBL6221657 0.80 TBXA2R (0.47) BRD4FAAHNR1H2
SCHEMBL4882674 0.80 FAAH (0.40) BRD4FAAHNR1H2NR1H3
SCHEMBL4385302 0.79 TBXA2R (0.46) BRD4FAAH
SCHEMBL18765270 0.78 BRD4 (0.46) BRD4FAAHNR1H2
SCHEMBL19013506 0.77 NR1H2 (0.43) BRD4FAAHNR1H2NR1H3
SCHEMBL7473742 0.77 CNR2 (0.41) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017068090-A1 NOVEL FERROPORTIN INHIBITORS VIFOR (INTERNATIONAL) AG (CH) 2017-04-27 WO disclosed
WO-2017068089-A2 NOVEL FERROPORTIN INHIBITORS VIFOR (INTERNATIONAL) AG (CH) 2017-04-27 WO disclosed
EP-1466603-A2 Novel catechols as antimicrobial agents Merck & Co., Inc. (US) 2004-10-13 EP disclosed
EP-1176958-B1 NOVEL CATECHOLS AS ANTIMICROBIAL AGENTS MERCK & CO INC (US) 2004-07-28 EP disclosed
US-6545015-B2 Useful in therapy of bacterial infections, fungal infections MERCK & CO., INC. 2003-04-08 US disclosed
US-20020040147-A1 Useful in therapy of bacterial infections, fungal infections HAMMOND MILTON L (US) 2002-04-04 US disclosed
US-6348482-B1 CONTROLLED RELEASE MICROBIOCIDES MERCK & CO., INC. 2002-02-19 US 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-20020040147-A1 Useful in therapy of bacterial infections, fungal infections HAO1, TST, ARSA BRD4 717/4885FAAH 259/4885L3MBTL1 1096/4885

“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.