SCHEMBL9610101

SCHEMBL9610101

O=C(O)CSc1nnnn1-c1ccc(C2CC2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
ALDH1A1 P00352 11/20 0.51
MAPK1 P28482 1/20 0.47
LMNA P02545 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MAPT P10636 5/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HTT P42858 6/20 0.42
TSHR P16473 1/20 0.42
CLK1 P49759 1/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL860922 0.80 ALDH1A1 (0.43) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL9612020 0.80 ALDH1A1 (0.45) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL9612071 0.79 ALDH1A1 (0.45) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL9610068 0.79 POLB (0.52) POLBALDH1A1MAPK1LMNAMEN1
SCHEMBL1493435 0.78 ALDH1A1 (0.79) POLBALDH1A1MAPK1LMNAMEN1
SCHEMBL9612036 0.78 ALDH1A1 (0.47) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL13064243 0.77 ALDH1A1 (0.42) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL13064273 0.77 ALDH1A1 (0.44) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL9612064 0.77 ALDH1A1 (0.46) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL861154 0.77 ALDH1A1 (0.42) POLBALDH1A1LMNAMEN1KMT2A

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
US-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 US disclosed
US-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 US disclosed
WO-2010135536-A2 METHODS OF MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 WO disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 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 (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-20120135929-A1 Methods Of Modulating Uric Acid Levels XDH, PON1, OAT POLB 2508/4885ALDH1A1 167/4885MAPK1 4577/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E POLB 29/4885ALDH1A1 411/4885MAPK1 2421/4885

“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.