SCHEMBL3700683

SCHEMBL3700683

Nc1nc(S)[nH]c(=O)c1N

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.39
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
PNP P00491 1/20 0.32
PLAUR Q03405 1/20 0.31

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
SCHEMBL1271646 0.75 CDK1 (0.56) ALDH1A1MEN1MAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL12474436 0.73 CDK1 (0.54) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL22715212 0.71 ALDH1A1 (0.65) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL5551189 0.67 HTT (0.47) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL11683430 0.67 ALDH1A1 (0.42) ALDH1A1MEN1MAPTHPGDKMT2A
Sulfuric Acid SCHEMBL21495047 0.67 CDK1 (0.47) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL11683196 0.67 ALDH1A1 (0.42) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL4570268 0.67 PNP (0.46) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL3700681 0.67 ALDH1A1 (0.30) ALDH1A1L3MBTL1
SCHEMBL5181913 0.63 PNP (0.48) ALDH1A1MEN1MAPTHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9993491-B2 Guanine riboswitch binding compounds and their use as antibiotics SOCPRA—SCIENCES ET GÉNIE S.E.C. (CA) 2018-06-12 US disclosed
US-9993491-B2 Guanine riboswitch binding compounds and their use as antibiotics SOCPRA—SCIENCES ET GÉNIE S.E.C. (CA) 2018-06-12 US disclosed
US-9993491-B2 Guanine riboswitch binding compounds and their use as antibiotics SOCPRA—SCIENCES ET GÉNIE S.E.C. (CA) 2018-06-12 US disclosed
EP-2440533-B1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS SOCPRA SCIENCES ET GÉNIE S E C (CA) 2015-09-23 EP disclosed
EP-2440533-B1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS SOCPRA SCIENCES ET GÉNIE S E C (CA) 2015-09-23 EP disclosed
US-20150150890-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS UNIVERSITE DE SHERBROOKE (CA) 2015-06-04 US disclosed
US-20150150890-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS UNIVERSITE DE SHERBROOKE (CA) 2015-06-04 US disclosed
US-20150150890-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS UNIVERSITE DE SHERBROOKE (CA) 2015-06-04 US disclosed
US-8247551-B2 Lead sensor and methods of use DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2012-08-21 US disclosed
US-20120122819-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS SOCPRA - SCIENCES ET GENIE S.E.C. (CA) 2012-05-17 US disclosed
US-20120122819-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS SOCPRA - SCIENCES ET GENIE S.E.C. (CA) 2012-05-17 US disclosed
US-20120122819-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS SOCPRA - SCIENCES ET GENIE S.E.C. (CA) 2012-05-17 US disclosed
US-7888506-B2 include a conjugated ring system, such as a dithiolone, a pyran, and a pyrazine containing ring system; biomarker applications, pH sensors, metal sensors, and as components for molecular electronics DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2011-02-15 US disclosed
WO-2010142027-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS SOCPRA - SCIENCES ET GENIE S. E. C. (CA) 2010-12-16 WO disclosed
US-20100041158-A1 Lead sensor and methods of use DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2010-02-18 US disclosed
US-20080182337-A1 COMPOSITION, SYNTHESIS, AND USE OF A NEW CLASS OF FLUOROPHORES DUQUESNE UNIVERSITY (US) 2008-07-31 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 (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-20150150890-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS GDA, RNMT, GNPDA1 ALDH1A1 1272/4885MEN1 4129/4885MAPT 4810/4885
US-20080182337-A1 COMPOSITION, SYNTHESIS, AND USE OF A NEW CLASS OF FLUOROPHORES PFAS, PPOX, DHPS ALDH1A1 1098/4885MEN1 2741/4885MAPT 3036/4885
US-20120122819-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS GDA, RNMT, GNPDA1 ALDH1A1 1272/4885MEN1 4129/4885MAPT 4810/4885
US-20100041158-A1 Lead sensor and methods of use CACYBP, NCS1, PDLIM5 ALDH1A1 2595/4885MEN1 3848/4885MAPT 822/4885

“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.