SCHEMBL10132765

SCHEMBL10132765

O=C(NCCc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cc1)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
BCL3 P20749 5/20 0.52
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
HRH3 Q9Y5N1 4/20 0.46
RAB9A P51151 2/20 0.46
PPARG P37231 2/20 0.46
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL10132761 0.85 FFAR1 (0.51) FFAR1NPC1ALDH1A1HRH3RAB9A
SCHEMBL11917483 0.79 SRC (0.63) FFAR1NPC1ALDH1A1RAB9AROCK2
SCHEMBL10132780 0.78 HPGD (0.62) NPC1ALDH1A1HRH3RAB9ASMN1; SMN2
SCHEMBL254621 0.76 SRC (0.70) FFAR1ROCK2ROCK1
SCHEMBL8161181 0.75 BCL3 (0.84) BCL3ALDH1A1KMT2A
SCHEMBL12782442 0.74 SRC (0.59) FFAR1ROCK2ROCK1
SCHEMBL10132920 0.74 HRH3 (0.62) NPC1ALDH1A1HRH3RAB9ASMN1; SMN2
SCHEMBL11917542 0.73 TUBB4A (0.80) FFAR1NPC1HTTRAB9AROCK2
SCHEMBL23928240 0.73 LTA4H (0.60) NPC1ALDH1A1HRH3RAB9ASMN1; SMN2
SCHEMBL10132960 0.73 KDM1A (0.52) NPC1HRH3RAB9ASMN1; SMN2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
WO-2009009041-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2009-01-15 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 (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-20090149510-A1 Compositions and methods for modulating a kinase cascade MAP3K6, MAP3K4, MAP3K3 FFAR1 4167/4885BCL3 1206/4885NPC1 3447/4885

“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.