SCHEMBL2804263

SCHEMBL2804263

COC(=O)c1cc(C(=N)NO)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
NOTUM Q6P988 1/20 0.41
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
ERN1 O75460 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 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
SCHEMBL4096988 0.88 ALDH1A1 (0.45) ALDH1A1KMT2AHSD17B10KDM4EHPGD
SCHEMBL1401556 0.83 KDM4E (0.58) ALDH1A1KMT2AHSD17B10KDM4EHPGD
SCHEMBL2807745 0.83 CA12 (0.57) ALDH1A1KMT2AHSD17B10KDM4EHPGD
SCHEMBL2229575 0.82 SIRT5 (0.41) ALDH1A1HSD17B10KDM4EL3MBTL1HDAC1
SCHEMBL18204421 0.81 KDM4E (0.47) ALDH1A1KMT2AHSD17B10KDM4EHPGD
SCHEMBL4261271 0.80 KMT2A (0.47) ALDH1A1KMT2AHSD17B10KDM4EHPGD
SCHEMBL1815890 0.80 RAB9A (0.54) ALDH1A1KMT2AHSD17B10KDM4EHPGD
SCHEMBL19680526 0.79 ALDH1A1 (0.49) ALDH1A1KMT2AHSD17B10KDM4EHPGD
SCHEMBL31613155 0.79 KMT2A (0.46) ALDH1A1KMT2AHSD17B10KDM4EHPGD
SCHEMBL30822002 0.79 KMT2A (0.46) ALDH1A1KMT2AHSD17B10KDM4EHPGD

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-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 ALDH1A1 516/4885KMT2A 1416/4885HSD17B10 3180/4885

“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.