SCHEMBL1739428

SCHEMBL1739428

N=C(NO)c1ccc(O)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 4/20 0.42
NOTUM Q6P988 1/20 0.38
HSD17B1 P14061 3/20 0.37
HSD17B2 P37059 3/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
XBP1 P17861 1/20 0.35
TMPRSS4 Q9NRS4 2/20 0.33
APP P05067 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL25383658 0.84 MAPT (0.49) NOTUMHDAC6HDAC1HDAC8MAPT
SCHEMBL29788387 0.82 HDAC8 (0.46) NOTUMHDAC6HDAC1HDAC8KIF11
SCHEMBL1964418 0.82 HDAC8 (0.46) NOTUMHDAC6HDAC1HDAC8KIF11
SCHEMBL23577458 0.80 KIF11 (0.46) NOTUMHDAC6HDAC1HDAC8KIF11
SCHEMBL6377504 0.77 HDAC6 (0.57) HDAC6MAPTAPP
SCHEMBL3089609 0.76 S1PR1 (0.43) HDAC6HDAC1HDAC8
SCHEMBL17654323 0.76 NOTUM (0.40) NOTUMHDAC6HDAC1HDAC8MAPT
SCHEMBL20580082 0.76 SNCA (0.46) P4HBHSD17B1HSD17B2HDAC6HDAC1
SCHEMBL24713651 0.75 NOTUM (0.42) P4HBNOTUMHSD17B1HSD17B2MAPT
SCHEMBL22396417 0.75 AKR1C3 (0.44) NOTUMHDAC6HDAC1HDAC8HSD17B10

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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
EP-2390252-A1 New pyrazole derivatives Almirall, S.A. (ES) 2011-11-30 EP disclosed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 P4HB 3789/4885NOTUM 4067/4885HSD17B1 598/4885

“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.