SCHEMBL1164151

SCHEMBL1164151

O=C(NC(Nc1cnc(Cl)cn1)C(Cl)(Cl)Cl)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
HTT P42858 3/20 0.47
TRPA1 O75762 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CA12 O43570 1/20 0.43
MMP2 P08253 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KCNJ11 Q14654 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EGFR P00533 1/20 0.40
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ8 Q15842 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL1164037 0.83 KCNJ11 (0.55) LMNAHTTTRPA1MEN1KMT2A
SCHEMBL1244526 0.80 HTT (0.49) LMNAHTTTRPA1MEN1KMT2A
SCHEMBL1922849 0.76 MEN1 (0.61) LMNAHTTTRPA1MEN1KMT2A
SCHEMBL12156708 0.74 KMT2A (0.70) LMNAHTTTRPA1MEN1KMT2A
SCHEMBL1923339 0.72 MAPT (0.73) LMNAHTTMEN1KMT2AMAPT
SCHEMBL12835446 0.71 MEN1 (0.52) LMNAHTTMEN1KMT2AMAPT
SCHEMBL11554329 0.71 HTT (0.55) LMNAHTTTRPA1MEN1KMT2A
SCHEMBL1923171 0.70 MAPT (0.51) LMNAHTTTRPA1MEN1KMT2A
SCHEMBL12156714 0.69 KMT2A (0.88) LMNAHTTTRPA1MEN1KMT2A
SCHEMBL12156716 0.68 MEN1 (0.59) LMNAHTTTRPA1MEN1KMT2A

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-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
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
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 LMNA 3313/4885HTT 3427/4885TRPA1 1127/4885
US-20110039866-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS S1PR3, S1PR1, S1PR2 LMNA 3313/4885HTT 3427/4885TRPA1 1127/4885

“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.