SCHEMBL881790

SCHEMBL881790

N/C(=N\O)C1(c2ccc(Cl)nc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
IDO1 P14902 2/20 0.37
ALOX5AP P20292 1/20 0.34
FFAR2 O15552 3/20 0.33
MAP4K4 O95819 1/20 0.31
PIK3CD O00329 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
TRPA1 O75762 1/20 0.31
P2RX7 Q99572 2/20 0.31
HSD11B1 P28845 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
SCHEMBL881576 0.87 MAP4K4 (0.37) ADRA2AADRA2BADRA2CALOX5APMAP4K4
SCHEMBL16441380 0.81 LMNA (0.43) ADRA2AADRA2BADRA2CIDO1ALOX5AP
SCHEMBL23578120 0.79 HSD11B1 (0.47) FFAR2MAP4K4HSD11B1
SCHEMBL8159437 0.79 HSD11B1 (0.47) FFAR2MAP4K4HSD11B1
SCHEMBL16441417 0.78 LMNA (0.47) ADRA2AADRA2BADRA2CIDO1FFAR2
SCHEMBL9966553 0.78 IDO1 (0.44) IDO1FFAR2MAP4K4NAPRTP2RX7
SCHEMBL15129323 0.77 LMNA (0.49) ADRA2AADRA2BADRA2CIDO1FFAR2
SCHEMBL9966332 0.76 AKR1C1 (0.49) IDO1FFAR2MAP4K4NAPRTP2RX7
SCHEMBL881649 0.76 ALOX5AP (0.41) ALOX5APPIK3CD
SCHEMBL881812 0.76 ALOX5AP (0.47) ALOX5AP

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-2619197-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-08-05 EP disclosed
US-8575201-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 US disclosed
US-8575201-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 US disclosed
US-20120295896-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-22 US disclosed
US-20120295896-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-22 US disclosed
WO-2012040139-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 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-20120295896-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 ADRA2A 1047/4885ADRA2B 537/4885ADRA2C 907/4885

“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.