SCHEMBL9892537

SCHEMBL9892537

CCc1c[nH]c(OCCc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)nc1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
LIPE Q05469 8/20 0.43
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.42
THRB P10828 1/20 0.40
RAB9A P51151 1/20 0.39
SCN9A Q15858 1/20 0.39
HPGD P15428 1/20 0.39
P2RX3 P56373 1/20 0.38
FFAR1 O14842 1/20 0.38
BCHE P06276 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL9109256 0.88 LMNA (0.41) LMNALIPEPLAAT3PLAAT5PLAAT2
SCHEMBL9889670 0.86 KDM4E (0.39) P2RX3
SCHEMBL9106657 0.83 PLAAT3 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL9101635 0.83 PLA2G7 (0.40) PLAAT3PLAAT5PLAAT2PLAAT4P2RX3
SCHEMBL9108674 0.81 PLA2G7 (0.41) LMNAP2RX3FFAR1
SCHEMBL15275211 0.79 PLA2G7 (0.39) P2RX3
SCHEMBL9889514 0.79 HCAR2 (0.35) P2RX3
SCHEMBL9904529 0.79 PLA2G7 (0.42) SCN9A
SCHEMBL9108191 0.78 PLA2G7 (0.58)
SCHEMBL9105412 0.78 HCAR2 (0.35) RAB9AP2RX3FFAR1

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-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 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-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 LMNA 512/4885LIPE 74/4885PLAAT3 56/4885

“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.