SCHEMBL9852459

SCHEMBL9852459

CCCC(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.75
POLB P06746 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65

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
SCHEMBL6379319 0.90 SIGMAR1 (0.68) SIGMAR1POLBL3MBTL1
SCHEMBL7268908 0.89 SIGMAR1 (0.79) SIGMAR1POLBL3MBTL1
SCHEMBL14116237 0.88 SIGMAR1 (0.69) SIGMAR1L3MBTL1
SCHEMBL28741993 0.88 SIGMAR1 (0.77) SIGMAR1POLBL3MBTL1
SCHEMBL4848450 0.88 SIGMAR1 (0.77) SIGMAR1POLBL3MBTL1
Hydrochloric Acid SCHEMBL29640479 0.88 SIGMAR1 (0.77) SIGMAR1POLBL3MBTL1
SCHEMBL13360982 0.86 SIGMAR1 (0.75) SIGMAR1POLBL3MBTL1
SCHEMBL5862113 0.86 SIGMAR1 (1.00) SIGMAR1
SCHEMBL6333442 0.85 SIGMAR1 (0.73) SIGMAR1POLBL3MBTL1
SCHEMBL21816604 0.85 SIGMAR1 (0.73) SIGMAR1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1025999-C Imidazo [4,5-B] quinolinyloxyalkanoic acid amides with enhanced water solubility BRISTOL MYERS SQUIBB CO (US) 1994-09-28 CN claimed
CN-1051359-A Improved imidazo [4, the 5-b] quinolinyloxyalkanoic acid amides of water-soluble degree BRISTOL MYERS SQUIBB CO (US) 1991-05-15 CN claimed
US-20100273765-A1 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. 2010-10-28 US disclosed
US-20100273765-A1 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. 2010-10-28 US disclosed
US-7342011-B2 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. (US) 2008-03-11 US disclosed
US-7342011-B2 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. (US) 2008-03-11 US disclosed
US-7271165-B2 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. (US) 2007-09-18 US disclosed
US-7271165-B2 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. (US) 2007-09-18 US disclosed
EP-0426180-A2 Imidazo[4,5-b] quinolinyloxyalkanoic acid amides with enhanced water solubility Bristol-Myers Squibb Company (US) 1991-05-08 EP disclosed
US-4289772-A PHOSPHODIESTERASE INHIBITORS PFIZER INC. (US) 1981-09-15 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-20100273765-A1 Rifamycin analogs and uses thereof RIF1, HDAC5, AADAC SIGMAR1 2370/4885POLB 1001/4885L3MBTL1 991/4885

“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.