SCHEMBL1923059

SCHEMBL1923059

O=C(NC(Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccc(Br)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 2/20 0.46
ABCC9 O60706 1/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
KCNJ8 Q15842 1/20 0.46
GFER P55789 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
FDFT1 P37268 1/20 0.43
P4HTM Q9NXG6 1/20 0.42

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
SCHEMBL12156732 0.89 MEN1 (0.66) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1923355 0.84 MEN1 (0.69) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1922849 0.83 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1922864 0.79 GFER (0.52) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1923680 0.78 GFER (0.56) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1923159 0.76 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1164037 0.76 KCNJ11 (0.55) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL12156712 0.75 KMT2A (0.90) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1164525 0.74 TRPA1 (0.54) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL12156713 0.74 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8049037-B2 Sphingosine-1-phosphate (S1P) receptor antagonists and methods for use thereof ALLERGAN, INC. (US) 2011-11-01 US disclosed
US-8049037-B2 Sphingosine-1-phosphate (S1P) receptor antagonists and methods for use thereof ALLERGAN, INC. (US) 2011-11-01 US disclosed
EP-2328863-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONISTS AND METHODS FOR USE THEREOF Allergan, Inc. (US) 2011-06-08 EP disclosed
WO-2010019646-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONISTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2010-02-18 WO disclosed
US-20100041715-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONISTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2010-02-18 US disclosed
US-20100041715-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONISTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2010-02-18 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 (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-20100041715-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONISTS AND METHODS FOR USE THEREOF S1PR1, S1PR2, S1PR3 MEN1 2283/4885KMT2A 2540/4885MAPT 4426/4885

“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.