SCHEMBL15633486

SCHEMBL15633486

CCc1cc(Br)ccc1COC1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4C Q9H3R0 1/20 0.37
CREBBP Q92793 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
CCR5 P51681 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
EP300 Q09472 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
HPGD P15428 3/20 0.33
LMNA P02545 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL15639233 1.00 MAPK1 (0.44) MAPK1KMT2AMEN1KDM4CCREBBP
SCHEMBL24252783 0.83 KDM4C (0.38) MAPK1KMT2AMEN1KDM4CCREBBP
SCHEMBL30452411 0.83 KDM4C (0.38) MAPK1KMT2AMEN1KDM4CCREBBP
SCHEMBL507078 0.83 NAAA (0.46) KMT2AMEN1KDM4CNPC1RAB9A
SCHEMBL29899652 0.82 MAPK1 (0.36) MAPK1KMT2AMEN1KDM4CCREBBP
SCHEMBL23647685 0.82 MAPK1 (0.36) MAPK1KMT2AMEN1KDM4CCREBBP
SCHEMBL15633452 0.81 KDM4C (0.39) KMT2AMEN1KDM4CCREBBPNPC1
SCHEMBL12375129 0.81 KDM4C (0.36) MAPK1KMT2AMEN1KDM4CCREBBP
SCHEMBL22031112 0.80 MEN1 (0.42) MAPK1KMT2AMEN1KDM4CCREBBP
SCHEMBL12375131 0.80 GABRA1 (0.46) MAPK1KMT2AMEN1KDM4CCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140274963-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-09-18 US disclosed
US-20140274963-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-09-18 US disclosed
US-20140274963-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-09-18 US disclosed
US-8722712-B2 Substituted aryl 1 ,2,4-oxadiazoles derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2014-05-13 US disclosed
US-8722712-B2 Substituted aryl 1 ,2,4-oxadiazoles derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2014-05-13 US disclosed
US-8722712-B2 Substituted aryl 1 ,2,4-oxadiazoles derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2014-05-13 US disclosed
US-20140100199-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-04-10 US disclosed
WO-2014055916-A1 SUBSTITUTED ARYL-1,2,4-OXADIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF INTERALIA OCULAR OR INFLAMMATORY DISEASES ALLERGAN, INC. (US) 2014-04-10 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 (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-20140274963-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR3, S1PR1, S1PR4 MAPK1 1281/4885KMT2A 4204/4885MEN1 3228/4885
US-20140100199-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR3, S1PR1, S1PR4 MAPK1 1281/4885KMT2A 4204/4885MEN1 3228/4885

“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.