SCHEMBL176984

SCHEMBL176984

CCCCCCCCc1ccc(C=NNC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
XBP1 P17861 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP1A2 P05177 2/20 0.52
MAPT P10636 2/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
ATG4B Q9Y4P1 9/20 0.49
PLA2G1B P04054 7/20 0.49
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
RECQL P46063 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
SCHEMBL176983 1.00 ATM (0.54) ATMSMN1; SMN2LMNAXBP1NPSR1
SCHEMBL24211888 0.82 GRIN2D (0.51) ATMSMN1; SMN2LMNAXBP1NPSR1
SCHEMBL23996035 0.82 GRIN2D (0.51) ATMSMN1; SMN2LMNAXBP1NPSR1
SCHEMBL17044461 0.80 GRIN2D (0.52) ATMSMN1; SMN2LMNAXBP1NPSR1
SCHEMBL17044460 0.80 GRIN2D (0.52) ATMSMN1; SMN2LMNAXBP1NPSR1
Hydrochloric Acid SCHEMBL6515928 0.79 GRIN2D (0.55) ATMSMN1; SMN2LMNAXBP1NPSR1
Hydrochloric Acid SCHEMBL6515932 0.79 GRIN2D (0.55) ATMSMN1; SMN2LMNAXBP1NPSR1
SCHEMBL16224311 0.78 GRIN2D (0.52) ATMSMN1; SMN2LMNAXBP1NPSR1
SCHEMBL11877632 0.77 ALDH1A1 (0.49) ATMSMN1; SMN2LMNAXBP1NPSR1
SCHEMBL8383029 0.77 MEN1 (0.57) SMN1; SMN2LMNANPSR1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-8592399-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2013-11-26 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
EP-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD (AU) 2010-04-22 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 (3 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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 ATM 3969/4885SMN1; SMN2 3064/4885LMNA 4245/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 ATM 3969/4885SMN1; SMN2 3064/4885LMNA 4245/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 ATM 3689/4885SMN1; SMN2 2073/4885LMNA 4010/4885

“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.