SCHEMBL10139416

SCHEMBL10139416

CCCc1ccc(-c2nc(C)no2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.59
MAPT P10636 5/20 0.55
NPC1 O15118 3/20 0.55
ALDH1A1 P00352 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
S1PR1 P21453 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 2/20 0.49
THRB P10828 1/20 0.49
BCHE P06276 1/20 0.48
S1PR4 O95977 1/20 0.47
S1PR3 Q99500 1/20 0.47

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
SCHEMBL8428076 0.86 ACHE (0.62) ACHEMAPTNPC1ALDH1A1RAB9A
SCHEMBL27679592 0.85 ACHE (0.57) ACHEMAPTNPC1ALDH1A1RAB9A
SCHEMBL13415305 0.83 ACHE (0.80) ACHEMAPTNPC1ALDH1A1RAB9A
SCHEMBL15444665 0.81 ACHE (0.61) ACHEMAPTNPC1ALDH1A1RAB9A
SCHEMBL5121524 0.81 ACHE (0.61) ACHEMAPTNPC1ALDH1A1RAB9A
SCHEMBL7200705 0.81 ACHE (0.61) ACHEMAPTNPC1ALDH1A1RAB9A
SCHEMBL10139426 0.78 ACHE (0.45) ACHEMAPTNPC1ALDH1A1RAB9A
SCHEMBL5952049 0.78 ACHE (0.57) ACHEMAPTNPC1ALDH1A1RAB9A
SCHEMBL12515631 0.78 ACHE (0.57) ACHEMAPTNPC1ALDH1A1RAB9A
SCHEMBL10139421 0.78 S1PR1 (0.47) ACHEMAPTNPC1ALDH1A1RAB9A

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
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-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
WO-2008064337-A2 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-05-29 WO disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 ACHE 4484/4885MAPT 4096/4885NPC1 931/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 ACHE 4817/4885MAPT 4146/4885NPC1 509/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 ACHE 4484/4885MAPT 4096/4885NPC1 931/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 ACHE 4370/4885MAPT 4621/4885NPC1 1465/4885

“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.