SCHEMBL3239491

SCHEMBL3239491

NCNS(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KEAP1 Q14145 2/20 0.61
KDM4E B2RXH2 1/20 0.61
PKM P14618 1/20 0.61
GBA1 P04062 2/20 0.56
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
MAPK1 P28482 1/20 0.50
IL1RN P18510 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
TPSAB1 Q15661 1/20 0.49

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
Hydrochloric Acid SCHEMBL3406093 0.98 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL451810 0.83 CYP3A4 (0.69) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL8349568 0.81 ALDH1A1 (0.79) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
Hydrochloric Acid SCHEMBL5015149 0.81 CYP3A4 (0.67) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL6437093 0.79 ALDH1A1 (0.75) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL5450999 0.79 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL11874029 0.78 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2GBA1CA1
SCHEMBL5323067 0.78 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL6671584 0.78 ALDH1A1 (0.79) ALDH1A1LMNASMN1; SMN2KDM4EPKM
SCHEMBL3651548 0.77 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089763-A2 AGENTS FOR SPECIFICALLY INHIBITING OSTEOCLASTIC BONE RESORPTION Dietsch, Peter (DE) 2001-04-11 EP claimed
WO-1999066910-A2 AGENTS FOR SPECIFICALLY INHIBITING OSTEOCLASTIC BONE RESORPTION DIETSCH PETER (DE) 1999-12-29 WO claimed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
CN-108047437-A A kind of polyester fabric for being used to interweave with acetate fiber and preparation method thereof 泉州禾伦织造有限公司 2018-05-18 CN disclosed
EP-3078640-A1 BIO-CONVERSION OF REFINERY WASTE STREAMS Indian Oil Corporation Limited (IN) 2016-10-12 EP disclosed
US-9193990-B2 Bioluminescent metal ion assay Thompson, Richard B. (US) 2015-11-24 US disclosed
CN-102300844-B Sulfamoyl-phenyl-ureidobenzamidine derivatives as antimalarial agents 4SC AG 2015-03-11 CN disclosed
US-20140273038-A1 BIOLUMINESCENT METAL ION ASSAY Thompson, Richard B. (US) 2014-09-18 US disclosed
EP-2670764-A1 C-28 AMINES OF C-3 MODIFIED BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS Bristol-Myers Squibb Company (US) 2013-12-11 EP disclosed
WO-2012106188-A1 C-28 AMINES OF C-3 MODIFIED BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-09 WO disclosed
WO-2010002998-A1 2,4,6-TRISUBSTITUTED PYRIDO (3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-01-07 WO disclosed
WO-2002061066-A1 METHOD FOR PRODUCING AN ENZYME FROM A NOVEL SOURCE OULUN YLIOPISTO (FI) 2002-08-08 WO disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
EP-0896541-A4 1999-03-24 EP disclosed
EP-0896541-A1 SILVER-BASED PHARMACEUTICAL COMPOSITIONS CAPELLI, Christopher C. (US) 1999-02-17 EP disclosed
WO-1997002038-A1 SILVER-BASED PHARMACEUTICAL COMPOSITIONS CAPELLI CHRISTOPHER C (US) 1997-01-23 WO disclosed
EP-0673234-A4 TISSUE PROTECTIVE AND REGENERATIVE COMPOSITIONS. SKIN BIOLOGY INC (US) 1996-12-27 EP disclosed
EP-0673234-A1 TISSUE PROTECTIVE AND REGENERATIVE COMPOSITIONS Skin Biology, Inc. (US) 1995-09-27 EP disclosed
WO-1994007448-A1 TISSUE PROTECTIVE AND REGENERATIVE COMPOSITIONS SKIN SCIENCE INCORPORATED (US) 1994-04-14 WO disclosed
WO-1992012635-A1 METHODS OF TRANSCRIPTIONALLY MODULATING GENE EXPRESSION OF VIRAL GENES AND OTHER GENES ONCOGENE SCIENCE, INC. (US) 1992-08-06 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 (1 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-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD5, ENTPD1, SLC29A1 ALDH1A1 226/4885LMNA 4510/4885SMN1; SMN2 4243/4885

“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.