SCHEMBL1372086

SCHEMBL1372086

Nc1ccc(Oc2ncc(Br)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 6/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
APAF1 O14727 1/20 0.43
NPC1 O15118 2/20 0.40
MAOA P21397 2/20 0.39
ACACB O00763 2/20 0.38
TEAD4 Q15561 1/20 0.38
MAOB P27338 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 3/20 0.37
MITF O75030 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
NLRP1 Q9C000 1/20 0.37

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
SCHEMBL5942840 0.82 MEN1 (0.45) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL12475977 0.81 MLYCD (0.51) MAPTALDH1A1TSHRNPC1ACACB
SCHEMBL17050446 0.79 NQO1 (0.47) MAPTALDH1A1TDP1CYP3A4TSHR
SCHEMBL1372113 0.79 NPC1 (0.37) MAPTALDH1A1CYP3A4NPC1ACACB
SCHEMBL5943098 0.78 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL5942875 0.78 ACACB (0.50) ACACB
SCHEMBL29834726 0.78 ALDH1A1 (0.34) MAPTALDH1A1NPC1ACACBSMN1; SMN2
SCHEMBL12476048 0.78 ACACB (0.49) MAPTALDH1A1TSHRNPC1ACACB
SCHEMBL5942897 0.77 MLYCD (0.41) MAPTNPC1ACACBMAOBLMNA
SCHEMBL5943002 0.76 LMNA (0.43) MAPTALDH1A1MEN1KMT2ANPC1

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-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 US disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 US disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 US disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed
WO-2010045580-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS EXELIXIS, INC. (US) 2010-04-22 WO disclosed
WO-2010045580-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS EXELIXIS, INC. (US) 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 (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-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 MAPT 4150/4885ALDH1A1 4114/4885TDP1 2286/4885

“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.