SCHEMBL646771

SCHEMBL646771

N#Cc1c(Cc2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)cccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
PDCD1 Q15116 6/20 0.41
CD274 Q9NZQ7 6/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGES O14684 1/20 0.39

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
SCHEMBL647192 0.94 SGMS2 (0.43) SGMS2MEN1KMT2AMAPTPDCD1
SCHEMBL2411327 0.81 SGMS2 (0.56) SGMS2MRGPRX4MEN1KMT2AMAPT
SCHEMBL645984 0.81 NPC1 (0.44) MRGPRX4MAPTNPC1RAB9AHTR1A
SCHEMBL7220858 0.79 SGMS2 (0.48) SGMS2MEN1KMT2AMAPTPOLB
SCHEMBL23628998 0.78 MAOB (0.51) SGMS2MRGPRX4MEN1KMT2AMAPT
SCHEMBL3916553 0.77 MEN1 (0.53) SGMS2MEN1KMT2AMAPTPOLB
SCHEMBL1731251 0.75 PIN1 (0.48) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL648410 0.75 CTSV (0.49) MEN1KMT2AMAPTPOLBSENP8
SCHEMBL9274816 0.75 PIN1 (0.48) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL650225 0.75 POLB (0.47) MEN1KMT2AMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963294-B1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2012-10-10 EP disclosed
US-8119666-B2 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (PTPase) NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1963294-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007067613-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2007-06-14 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-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR SGMS2 1917/4885MRGPRX4 1398/4885MEN1 3927/4885

“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.