SCHEMBL10240410

SCHEMBL10240410

N/C(=N\O)C1(c2ccc(Br)cc2)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.41
ALDH1A1 P00352 2/20 0.40
HDAC4 P56524 3/20 0.37
AKR1C1 Q04828 1/20 0.35
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC22A3 O75751 1/20 0.34
PLAU P00749 1/20 0.34
LMNA P02545 3/20 0.33
NOS1 P29475 2/20 0.33
HSD11B1 P28845 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL10240412 0.98 HDAC1 (0.43) HDAC1ALDH1A1HDAC4AKR1C1SLC22A2
SCHEMBL10240359 0.96 HDAC1 (0.38) HDAC1ALDH1A1HDAC4AKR1C1SLC22A2
SCHEMBL28842444 0.93 SLC22A2 (0.36) HDAC1ALDH1A1SLC22A2SLC22A1SLC22A3
SCHEMBL835098 0.81 AKR1C1 (0.55) ALDH1A1HDAC4AKR1C1LMNAHSD11B1
SCHEMBL23578120 0.79 HSD11B1 (0.47) HDAC1ALDH1A1HDAC4LMNAHSD11B1
SCHEMBL8159437 0.79 HSD11B1 (0.47) HDAC1ALDH1A1HDAC4LMNAHSD11B1
SCHEMBL1141468 0.78 LMNA (0.53) HDAC1ALDH1A1HDAC4AKR1C1LMNA
SCHEMBL29604970 0.76 LMNA (0.55) HDAC1ALDH1A1HDAC4AKR1C1LMNA
SCHEMBL15143175 0.74 HDAC1 (0.40) HDAC1ALDH1A1HDAC4AKR1C1SLC22A2
SCHEMBL8220769 0.74 MAOB (0.38) HDAC1SLC22A2SLC22A1SLC22A3PLAU

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
EP-2609092-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-04-01 EP disclosed
US-8580829-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 US disclosed
US-8580829-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 US disclosed
US-20120214787-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214787-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012027322-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 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-20120214787-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 HDAC1 1738/4885ALDH1A1 619/4885HDAC4 3860/4885

“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.