SCHEMBL5485870

SCHEMBL5485870

O=C(NO)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 1.00
ALDH1A1 P00352 5/20 0.77
CYP2C9 P11712 2/20 0.73
CYP1A2 P05177 1/20 0.73
POLB P06746 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.67
MAPK1 P28482 1/20 0.67
NPSR1 Q6W5P4 2/20 0.64
RAB9A P51151 1/20 0.64
MAPT P10636 4/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
HTT P42858 3/20 0.62
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL11784892 0.88 KDM4E (0.79) KDM4EALDH1A1CYP2C9CYP1A2POLB
SCHEMBL13753815 0.85 ALDH1A1 (0.76) KDM4EALDH1A1CYP2C9CYP1A2POLB
SCHEMBL13753806 0.85 RAB9A (0.82) KDM4EALDH1A1CYP2C9CYP1A2POLB
SCHEMBL7694742 0.84 KDM4E (0.73) KDM4EALDH1A1CYP2C9CYP1A2POLB
SCHEMBL978291 0.83 KDM4E (0.71) KDM4EALDH1A1CYP2C9CYP1A2POLB
SCHEMBL16495997 0.83 KDM4E (0.71) KDM4EALDH1A1CYP2C9CYP1A2POLB
SCHEMBL1098123 0.82 CYP2C9 (0.73) KDM4EALDH1A1CYP2C9CYP1A2POLB
SCHEMBL3480459 0.82 KDM4E (0.69) KDM4EALDH1A1CYP2C9CYP1A2POLB
SCHEMBL1432938 0.82 ALDH1A1 (0.72) KDM4EALDH1A1CYP2C9CYP1A2POLB
SCHEMBL11786444 0.82 KDM4E (0.69) KDM4EALDH1A1CYP2C9CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance GUILFORD PHARMACEUTICALS INC. 2004-09-23 US claimed
WO-2004078180-A2 NAALADASE INHIBITORS FOR TREATING OPIOID TOLERANCE GUILFORD PHARMACEUTICALS INC. (US) 2004-09-16 WO claimed
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma EISAI INC. 2003-02-20 US claimed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US disclosed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US disclosed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 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 (2 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-20040186081-A1 Naaladase inhibitors for treating opioid tolerance OPRD1, OPRK1, OPRM1 KDM4E 991/4885ALDH1A1 105/4885CYP2C9 45/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A KDM4E 2355/4885ALDH1A1 198/4885CYP2C9 2133/4885

“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.