SCHEMBL6468609

SCHEMBL6468609

CCc1ccc2ccc(OCC(F)(F)F)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HPGDS O60760 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
ACVR1 Q04771 1/20 0.34
MST1R Q04912 1/20 0.34
TYRO3 Q06418 1/20 0.34

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
SCHEMBL16705084 0.81 CYP1A2 (0.46) L3MBTL1SMN1; SMN2CYP1A2HDAC1HDAC8
SCHEMBL6370641 0.79 HPGDS (0.37) L3MBTL1SMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL30224786 0.78 THRB (0.43) L3MBTL1SMN1; SMN2CYP1A2HDAC1HDAC8
SCHEMBL23993199 0.78 THRB (0.43) L3MBTL1SMN1; SMN2CYP1A2HDAC1HDAC8
SCHEMBL12524836 0.76 L3MBTL1 (0.53) L3MBTL1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL6607250 0.76 MEN1 (0.51) L3MBTL1SMN1; SMN2CYP1A2HDAC1HDAC8
SCHEMBL18083226 0.74 NOS3 (0.46) NOS3NOS1L3MBTL1SMN1; SMN2
SCHEMBL23995366 0.74 SLC6A4 (0.38) L3MBTL1HDAC1HDAC8HDAC6HPGDS
SCHEMBL17962772 0.71 THRB (0.46) L3MBTL1SMN1; SMN2CYP1A2HPGDSCYP2C9
SCHEMBL18611217 0.70 L3MBTL1 (0.40) L3MBTL1SMN1; SMN2CYP1A2HPGDSCYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 MTNR1A 3011/4885MTNR1B 3159/4885NOS3 2269/4885

“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.