SCHEMBL855213

SCHEMBL855213

CC(=O)c1nc(CCl)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 3/20 0.43
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 4/20 0.43
TDP1 Q9NUW8 5/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
GFER P55789 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 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
SCHEMBL4890454 0.82 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ALMNAALDH1A1KDM4E
SCHEMBL5034313 0.82 ALDH1A1 (0.39) SMN1; SMN2KMT2AALDH1A1TDP1RAB9A
SCHEMBL1118859 0.82 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ALMNAALDH1A1KDM4E
SCHEMBL1614004 0.82 ALDH1A1 (0.39) SMN1; SMN2KMT2AALDH1A1TDP1RAB9A
SCHEMBL16603280 0.82 ALDH1A1 (0.39) SMN1; SMN2KMT2ALMNAALDH1A1TDP1
SCHEMBL5988033 0.81 SMN1; SMN2 (0.49) SMN1; SMN2KMT2ALMNAALDH1A1KDM4E
SCHEMBL855209 0.81 KMT2A (0.38) SMN1; SMN2KMT2AALDH1A1KDM4ETDP1
SCHEMBL28177526 0.81 ALDH1A1 (0.38) SMN1; SMN2KMT2AALDH1A1TDP1RAB9A
SCHEMBL4886906 0.80 SMN1; SMN2 (0.49) SMN1; SMN2KMT2ALMNAALDH1A1KDM4E
SCHEMBL14825340 0.80 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ALMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US disclosed
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US disclosed
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US disclosed
US-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US disclosed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 WO disclosed
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP disclosed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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 (3 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-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS FPR1, FPR2, FPR3 SMN1; SMN2 3806/4885KMT2A 3813/4885LMNA 2368/4885
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 SMN1; SMN2 4612/4885KMT2A 2299/4885LMNA 4005/4885
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ADORA1, ADORA3, TBXA2R SMN1; SMN2 4596/4885KMT2A 467/4885LMNA 3975/4885

“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.