SCHEMBL1923339

SCHEMBL1923339

Cc1ccc(NC(NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.73
LMNA P02545 5/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
ALDH1A1 P00352 3/20 0.73
NPSR1 Q6W5P4 2/20 0.73
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
GAA P10253 2/20 0.58
GFER P55789 1/20 0.58
HTT P42858 2/20 0.56
HPGD P15428 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 1/20 0.47
MMP2 P08253 1/20 0.47
CA14 Q9ULX7 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
SCHEMBL1922849 0.88 MEN1 (0.61) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL12156767 0.86 MAPT (0.55) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL12156708 0.86 KMT2A (0.70) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL12156714 0.86 KMT2A (0.88) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL12156711 0.84 MAPT (1.00) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL12156732 0.84 MEN1 (0.66) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL12156716 0.82 MEN1 (0.59) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL25865793 0.82 ALDH1A1 (0.62) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL12156768 0.82 GFER (0.67) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL1164525 0.81 TRPA1 (0.54) MAPTLMNASMN1; SMN2ALDH1A1NPSR1

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-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
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
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
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 MAPT 4426/4885LMNA 3708/4885SMN1; SMN2 1727/4885

“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.