SCHEMBL5481582

SCHEMBL5481582

O=C(Nc1[c]nccc1)OCF

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
LMNA P02545 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
BCHE P06276 1/20 0.33
NLRP3 Q96P20 1/20 0.33
CHRNA7 P36544 2/20 0.32
MAPT P10636 3/20 0.31
HTT P42858 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5476348 0.84 POLB (0.34) POLBLMNANPC1RAB9ASMN1; SMN2
SCHEMBL3425959 0.84 NPC1 (0.46) POLBLMNANPC1RAB9ASMN1; SMN2
SCHEMBL3430834 0.81 POLB (0.57) POLBLMNANPC1RAB9ASMN1; SMN2
SCHEMBL3430680 0.80 SMN1; SMN2 (0.39) POLBLMNANPC1RAB9ASMN1; SMN2
SCHEMBL4985483 0.80 RAB9A (0.50) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8918118 0.79 LMNA (0.34) LMNA
SCHEMBL1906809 0.76 HSD17B10 (0.41) POLBLMNANPC1RAB9ASMN1; SMN2
SCHEMBL5472894 0.76 L3MBTL1 (0.36) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL1558873 0.75 NAMPT (0.45) POLBLMNANPC1RAB9AMEN1
SCHEMBL5476071 0.74 NPC1 (0.34) POLBLMNANPC1RAB9ASMN1; SMN2

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-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same DAIICHI PHARMACEUTICAL CO., LTD. 2007-09-06 US disclosed
EP-1731513-A1 PHENOXYACETIC ACID DERIVATIVE AND MEDICINE CONTAINING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-13 EP 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-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same PPARA, PPARG, PPARD POLB 1509/4885LMNA 2369/4885NPC1 2452/4885

“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.