SCHEMBL1689735

SCHEMBL1689735

COC1=CC(F)([N+](=O)[O-])CC(c2ccccc2)=C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL3648774 0.76 NPC1 (0.36) NPC1RAB9AHPGDNCOA1NCOA3
SCHEMBL28315380 0.73 ALDH1A1 (0.32) NPC1RAB9AALDH1A1TDP1
SCHEMBL5043279 0.70 NPC1 (0.36) NPC1RAB9AHPGDALDH1A1NCOA1
SCHEMBL28159847 0.65 ALDH1A1 (0.33) ALDH1A1MAPTTDP1
SCHEMBL28749627 0.64 NPC1 (0.31) NPC1RAB9AHPGDALDH1A1
SCHEMBL31070269 0.62 SLC6A4 (0.36) NPC1RAB9AHPGDALDH1A1MEN1
SCHEMBL28159879 0.62 ALDH1A1 (0.31) ALDH1A1MAPTTDP1
SCHEMBL27474534 0.61 KCNA4 (0.32) ALDH1A1TDP1
SCHEMBL28712291 0.60 KMT2A (0.34) NPC1RAB9AALDH1A1MEN1MAPT
SCHEMBL27551509 0.60 ALDH1A1 (0.31) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093385-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
EP-2190808-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-Roche AG (CH) 2010-06-02 EP disclosed
WO-2009024492-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 WO disclosed
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 2009-02-26 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-20090054466-A1 Leukotriene B4 Inhibitors LTB4R2, LTB4R, LTC4S NPC1 639/4885RAB9A 2954/4885HPGD 77/4885

“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.