SCHEMBL1164037

SCHEMBL1164037

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 5/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KCNQ3 O43525 6/20 0.48
KCNQ2 O43526 6/20 0.48
KCNE1 P15382 4/20 0.48
KCNQ1 P51787 4/20 0.48
HTT P42858 2/20 0.47
BACE1 P56817 1/20 0.47
EGFR P00533 1/20 0.45
TRPA1 O75762 1/20 0.44

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
SCHEMBL12835446 0.88 MEN1 (0.52) KCNJ11MEN1KMT2AALDH1A1MAPT
SCHEMBL1922849 0.83 MEN1 (0.61) KCNJ11MEN1KMT2AALDH1A1MAPT
SCHEMBL1164151 0.83 LMNA (0.51) KCNJ11MEN1KMT2AALDH1A1MAPT
SCHEMBL1244526 0.80 HTT (0.49) KCNJ11MEN1KMT2AALDH1A1MAPT
SCHEMBL1923339 0.80 MAPT (0.73) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL12156708 0.79 KMT2A (0.70) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1923171 0.77 MAPT (0.51) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL12156714 0.77 KMT2A (0.88) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1923355 0.76 MEN1 (0.69) KCNJ11MEN1KMT2AALDH1A1MAPT
SCHEMBL12156716 0.76 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190694-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2012-07-26 US disclosed
US-20120190694-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2012-07-26 US disclosed
US-20120190694-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2012-07-26 US disclosed
EP-2464629-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Allergan, Inc. (US) 2012-06-20 EP disclosed
US-8168795-B2 Selective sphingosine-1-phosphate receptor antagonists ALLERGAN, INC. (US) 2012-05-01 US disclosed
US-8168795-B2 Selective sphingosine-1-phosphate receptor antagonists ALLERGAN, INC. (US) 2012-05-01 US disclosed
US-8168795-B2 Selective sphingosine-1-phosphate receptor antagonists ALLERGAN, INC. (US) 2012-05-01 US disclosed
WO-2011028927-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2011-03-10 WO disclosed
WO-2011019681-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2011-02-17 WO disclosed
WO-2011019681-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2011-02-17 WO disclosed
US-20110039866-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2011-02-17 US disclosed
US-20110039866-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2011-02-17 US disclosed
US-20110039866-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2011-02-17 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 (2 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-20120190694-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS S1PR3, S1PR1, S1PR2 KCNJ11 2562/4885MEN1 2039/4885KMT2A 4268/4885
US-20110039866-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS S1PR3, S1PR1, S1PR2 KCNJ11 2562/4885MEN1 2039/4885KMT2A 4268/4885

“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.