SCHEMBL1610031

SCHEMBL1610031

O=C(O)CSc1nnnn1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 1.00
ALDH1A1 P00352 11/20 0.83
MAPT P10636 2/20 0.83
KMT2A Q03164 2/20 0.83
MEN1 O00255 1/20 0.83
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
TSHR P16473 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 1/20 0.63
HPGD P15428 1/20 0.63
PKM P14618 1/20 0.62
MAPK1 P28482 1/20 0.61

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
SCHEMBL7992707 0.98 POLB (0.97) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL11925367 0.88 ALDH1A1 (0.78) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL5592639 0.87 ALDH1A1 (0.76) POLBALDH1A1MAPTKMT2AMEN1
Silver SCHEMBL7992706 0.87 ALDH1A1 (0.76) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL1610173 0.87 POLB (0.76) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL1612584 0.86 L3MBTL1 (0.79) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL1612844 0.85 POLB (0.73) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL8827915 0.85 POLB (0.74) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL27804013 0.84 ALDH1A1 (0.72) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL8188675 0.84 ALDH1A1 (0.72) POLBALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135718-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2019-05-09 US disclosed
US-20170305824-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2017-10-26 US disclosed
US-20170305824-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2017-10-26 US disclosed
EP-3000468-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS President and Fellows of Harvard College (US) 2016-03-30 EP disclosed
US-20120122889-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-17 US disclosed
US-20120122889-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-17 US disclosed
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US disclosed
WO-2010075561-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-07-01 WO disclosed
WO-2008118626-A9 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INST MEDICAL RESEARCH (US) 2008-12-18 WO disclosed
WO-2008118626-A2 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-10-02 WO disclosed
US-6746833-B2 EXPOSING SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL INCLUDING SUPPORT AND AT LEAST THREE LIGHT-SENSITIVE LAYERS, DEVELOPING AT SPECIFIED TEMPERATURE, CONVERTING INFORMATION OF FORMED COLOR IMAGE TO DIGITAL IMAGE INFORMATION THROUGH IMAGE SENSOR KONICA CORPORATION (JP) 2004-06-08 US disclosed
US-6696230-B2 EXPOSING SILVER HALIDE COLOR PHOTOGRAPHIC AND DEVELOPMENT; RECORDING INFORMATION CONVERTED THROUGH IMAGE SENSOR KONICA CORPORATION (JP) 2004-02-24 US disclosed
US-20040002022-A1 Color image forming method and digital image forming method KONICA CORPORATION (JP) 2004-01-01 US disclosed
US-20030203324-A1 Color image forming method and digital image forming method KONICA CORPORATION (JP) 2003-10-30 US disclosed
EP-0174177-B1 HEAT-DEVELOPABLE COLOR PHOTO-SENSITIVE MATERIAL KONICA CORPORATION (JP) 1989-11-29 EP 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-20120122889-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 POLB 2233/4885ALDH1A1 4844/4885MAPT 2906/4885
US-20170305824-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 POLB 2287/4885ALDH1A1 4840/4885MAPT 2940/4885
US-20190135718-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 POLB 2287/4885ALDH1A1 4840/4885MAPT 2940/4885
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R POLB 4782/4885ALDH1A1 3233/4885MAPT 1288/4885

“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.