SCHEMBL3205617

SCHEMBL3205617

N#Cc1ccc(N=C=S)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
ABCB11 O95342 1/20 0.52
NR3C1 P04150 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ADRA2C P18825 1/20 0.52
MAOA P21397 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR2B P41595 1/20 0.52
CCR2 P41597 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
IMPDH2 P12268 3/20 0.44
IMPDH1 P20839 2/20 0.44
AR P10275 6/20 0.41

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
SCHEMBL5380803 0.84 ALDH1A1 (0.68) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL1971208 0.81 IMPDH2 (0.44) ALDH1A1CYP3A4IMPDH2IMPDH1AR
SCHEMBL12456472 0.77 APLNR (0.42) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL151936 0.77 IMPDH2 (0.64) ALDH1A1IMPDH2IMPDH1ARSLC22A12
SCHEMBL29489135 0.77 IMPDH2 (0.64) ALDH1A1IMPDH2IMPDH1ARSLC22A12
SCHEMBL2482764 0.76 ALDH1A1 (0.53) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL1997655 0.75 ALDH1A1 (0.75) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL11193357 0.75 IMPDH2 (0.61) ALDH1A1IMPDH2IMPDH1ARSLC22A12
SCHEMBL25484542 0.74 ALDH1A1 (0.47) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL6392900 0.73 CYP1A2 (0.55) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040963-A1 Compounds, Compositions and Methods of Using Same for Modulating Uric Acid Levels ARDEA BIOSCIENCES, INC. (US) 2013-02-14 US disclosed
US-20130040963-A1 Compounds, Compositions and Methods of Using Same for Modulating Uric Acid Levels ARDEA BIOSCIENCES, INC. (US) 2013-02-14 US disclosed
US-20130040963-A1 Compounds, Compositions and Methods of Using Same for Modulating Uric Acid Levels ARDEA BIOSCIENCES, INC. (US) 2013-02-14 US disclosed
US-8344012-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-01-01 US disclosed
US-8344012-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-01-01 US disclosed
US-8344012-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-01-01 US disclosed
US-8193234-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2012-06-05 US disclosed
US-8193234-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2012-06-05 US disclosed
US-8193234-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2012-06-05 US disclosed
CN-102186827-A Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES INC 2011-09-14 CN disclosed
US-20100056593-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 US disclosed
US-20100056593-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 US disclosed
US-20100056593-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 US disclosed
US-20100056542-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 US disclosed
US-20100056542-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 US disclosed
US-20100056542-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 US disclosed
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 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 (4 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-20130040963-A1 Compounds, Compositions and Methods of Using Same for Modulating Uric Acid Levels XDH, PON1, OAT ALDH1A1 276/4885ABCB11 2439/4885NR3C1 2168/4885
US-20100056593-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT ALDH1A1 276/4885ABCB11 2439/4885NR3C1 2168/4885
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 ALDH1A1 587/4885ABCB11 1044/4885NR3C1 14/4885
US-20100056542-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, OAT, PON1 ALDH1A1 301/4885ABCB11 2152/4885NR3C1 1946/4885

“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.