SCHEMBL490098

SCHEMBL490098

Oc1cc(O)nc(SCc2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
NPC1 O15118 3/20 0.62
MAPT P10636 4/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
GFER P55789 1/20 0.55
HSD17B10 Q99714 2/20 0.55
HSP90AA1 P07900 1/20 0.51
ALOX15 P16050 2/20 0.49
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HIF1A Q16665 1/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 2/20 0.47
ROCK2 O75116 1/20 0.46
MAP4K4 O95819 1/20 0.46
PRKX P51817 1/20 0.46

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
SCHEMBL1520770 0.88 RAB9A (0.78) RAB9ASMN1; SMN2NPC1MAPTPKM
SCHEMBL1520968 0.88 SMN1; SMN2 (0.57) RAB9ASMN1; SMN2NPC1MAPTPKM
SCHEMBL18499086 0.84 RAB9A (0.50) RAB9ASMN1; SMN2NPC1MAPTPKM
SCHEMBL13752162 0.83 RAB9A (0.70) RAB9ASMN1; SMN2NPC1MAPTTSHR
SCHEMBL13067250 0.83 ALDH1A1 (0.47) RAB9ASMN1; SMN2NPC1MAPTPKM
SCHEMBL10847008 0.83 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPC1MAPTPKM
SCHEMBL27344768 0.83 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPC1MAPTPKM
SCHEMBL14645653 0.81 HTT (0.65) RAB9ASMN1; SMN2NPC1MAPTPKM
SCHEMBL12766911 0.81 TOP2A (0.57) SMN1; SMN2MAPTALDH1A1KMT2ATDP1
SCHEMBL16920970 0.81 RAB9A (0.68) RAB9ASMN1; SMN2NPC1MAPTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP claimed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO claimed
JP-5059015-A None JP disclosed
US-9510593-B2 S-benzylthiouracil compounds and methods of enhancing plant root growth VALENT BIOSCIENCES CORPORATION (US) 2016-12-06 US disclosed
US-9510593-B2 S-benzylthiouracil compounds and methods of enhancing plant root growth VALENT BIOSCIENCES CORPORATION (US) 2016-12-06 US disclosed
US-20150201620-A1 S-BENZYLTHIOURACIL COMPOUNDS AND METHODS OF ENHANCING PLANT ROOT GROWTH VALENT BIOSCIENCES LLC 2015-07-23 US disclosed
US-20150201620-A1 S-BENZYLTHIOURACIL COMPOUNDS AND METHODS OF ENHANCING PLANT ROOT GROWTH VALENT BIOSCIENCES LLC 2015-07-23 US disclosed
WO-2015108938-A1 S-BENZYLTHIOURACIL COMPOUNDS AND METHODS OF ENHANCING PLANT ROOT GROWTH VALENT BIOSCIENCES CORPORATION (US) 2015-07-23 WO disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
EP-1527051-B1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-20050234077-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity ASTRAZENECA AB, A SWEDEN CORPORATION 2005-10-20 US disclosed
EP-1527051-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Astrazeneca AB (SE) 2005-05-04 EP disclosed
WO-2004011443-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
US-20030040523-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2003-02-27 US disclosed
EP-1265899-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2002-12-18 EP disclosed
WO-2001058902-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2001-08-16 WO disclosed
CN-1046270-C Pyrimidine-thloalkyl and alkylether compounds PHARMACIA UPJOHN COMPANY (US) 1999-11-10 CN disclosed
CN-1134697-A Pyrimidine-sulfanyl and alkyl ether compounds UPJOHN CO (US) 1996-10-30 CN disclosed
JP-H0559015-A PYRIMIDINE DERIVATIVE AND HERBICIDE CONTAINING THE SAME DERIVATIVE AS ACTIVE INGREDIENT OTSUKA CHEM CO LTD 1993-03-09 JP 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-20150201620-A1 S-BENZYLTHIOURACIL COMPOUNDS AND METHODS OF ENHANCING PLANT ROOT GROWTH SRM, TST, BROX RAB9A 2155/4885SMN1; SMN2 4861/4885NPC1 3739/4885
US-20030040523-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity CCR5, CXCR1, CXCR4 RAB9A 2666/4885SMN1; SMN2 4674/4885NPC1 1708/4885
US-20050234077-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR2 RAB9A 2676/4885SMN1; SMN2 4685/4885NPC1 1898/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT RAB9A 4202/4885SMN1; SMN2 4556/4885NPC1 3727/4885

“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.