SCHEMBL1531285

SCHEMBL1531285

CCc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.58
ALDH1A1 P00352 6/20 0.53
TSHR P16473 3/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 1/20 0.52
THRB P10828 1/20 0.52
CYP1A2 P05177 2/20 0.49
ERN1 O75460 1/20 0.49
POLB P06746 3/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 3/20 0.47
ALOX15 P16050 2/20 0.46
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL83798 0.86 GPR35 (0.60) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL1091651 0.85 GPR35 (0.58) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL4231830 0.85 ALDH1A1 (0.58) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL18688890 0.84 TYR (0.57) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL7876386 0.83 GPR35 (0.56) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL17627174 0.83 GPR35 (0.56) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL6691566 0.83 GPR35 (0.56) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL28128307 0.82 GPR35 (0.51) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL9416708 0.82 GPR35 (0.51) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL7566464 0.82 POLB (0.59) ALDH1A1TSHRCYP1A2POLBHTT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108290903-A New big ring sulphonyl diimine compounds 拜耳医药股份有限公司 2018-07-17 CN disclosed
US-8618115-B2 Substituted thieno[3,2-d]pyrimidinones as MCHR1 antagonists and methods for using them BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-31 US disclosed
EP-2298776-A1 Thienopyrimidinone derivatives as melanin concentrating hormone receptor-1 antagonists Bristol-Myers Squibb Company (US) 2011-03-23 EP disclosed
US-20090099175-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2009-04-16 US disclosed
US-20090099175-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2009-04-16 US disclosed
CN-101316851-A Thienopyrimidinone derivatives as melanin concentrating hormone receptor-1 antagonists BRISTOL MYERS SQUIBB CO (US) 2008-12-03 CN disclosed
EP-1991531-A1 CINNOLINE AND QUINOXALINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
EP-1989195-A1 PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-12 EP disclosed
EP-1948665-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-07-30 EP disclosed
US-20070287707-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-12-13 US disclosed
US-20070287707-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-12-13 US disclosed
WO-2007103260-A1 PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 WO disclosed
WO-2007103260-A1 PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 WO disclosed
WO-2007100880-A1 CINNOLINE AND QUINAZOLINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-07 WO disclosed
WO-2007100880-A1 CINNOLINE AND QUINAZOLINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-07 WO disclosed
WO-2007050726-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 WO disclosed
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-5801170-A Heterocyclic biphenylylamides useful as 5HT1D antagonists SMITHKLINE BEECHAM PLC (GB) 1998-09-01 US disclosed
EP-0733048-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-09-25 EP disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 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 (3 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-20090099175-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A GPR35 1255/4885ALDH1A1 443/4885TSHR 3059/4885
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists MCHR1, MCHR2, MC1R GPR35 167/4885ALDH1A1 622/4885TSHR 44/4885
US-20070287707-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A GPR35 1432/4885ALDH1A1 382/4885TSHR 2569/4885

“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.