SCHEMBL86389

SCHEMBL86389

CC1Sc2ccccc2C(=O)c2cc(CF)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
MAPK1 P28482 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
CYP1A2 P05177 1/20 0.33
AKR1B1 P15121 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
EPHX2 P34913 1/20 0.31
TP53 P04637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL86296 0.80 ELANE (0.50) MAPTMAPK1SMN1; SMN2ALDH1A1NPC1
SCHEMBL86293 0.79 EDNRB (0.41) MAPTMAPK1SMN1; SMN2ALDH1A1NPC1
SCHEMBL91674 0.78 EDNRB (0.41) MAPTMAPK1SMN1; SMN2ALDH1A1NPC1
SCHEMBL12807506 0.70 NPC1 (0.66) MAPTMAPK1SMN1; SMN2ALDH1A1NPC1
SCHEMBL13302892 0.65 ACHE (0.39) MAPTMAPK1SMN1; SMN2ALDH1A1NPC1
SCHEMBL68578 0.65 ACHE (0.39) MAPTMAPK1SMN1; SMN2ALDH1A1NPC1
SCHEMBL14432865 0.64 NPC1 (0.51) MAPTMAPK1SMN1; SMN2ALDH1A1NPC1
SCHEMBL17715425 0.62 BRD4 (0.45) MAPTMAPK1SMN1; SMN2ALDH1A1NPC1
SCHEMBL27598874 0.61 MAPK1 (0.60) MAPTMAPK1SMN1; SMN2ALDH1A1NPC1
SCHEMBL7238608 0.61 MAPT (0.54) MAPTMAPK1SMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 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-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME RB1, IK, NOX1 MAPT 2087/4885MAPK1 418/4885SMN1; SMN2 2151/4885

“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.