SCHEMBL877030

SCHEMBL877030

N=C(NO)C1(c2ccc(Cl)nc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
HDAC4 P56524 2/20 0.39
FFAR2 O15552 3/20 0.35
ALOX5AP P20292 1/20 0.34
FPR2 P25090 1/20 0.33
P2RX7 Q99572 5/20 0.33
DGAT1 O75907 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL16976489 0.84 IDO1 (0.42) IDO1HDAC4FFAR2FPR2P2RX7
SCHEMBL16976492 0.83 IDO1 (0.41) IDO1HDAC4FFAR2FPR2P2RX7
SCHEMBL4748287 0.79 HDAC4 (0.60) HDAC4FFAR2HDAC1
SCHEMBL9966553 0.78 IDO1 (0.44) IDO1HDAC4FFAR2FPR2P2RX7
SCHEMBL9966332 0.76 AKR1C1 (0.49) IDO1HDAC4FFAR2P2RX7MAPT
SCHEMBL13835299 0.75 ALOX5AP (0.48) ALOX5AP
SCHEMBL873672 0.75 ALOX5AP (0.42) ALOX5AP
SCHEMBL16441380 0.75 LMNA (0.43) IDO1HDAC4FFAR2ALOX5APFPR2
SCHEMBL15143204 0.75 IDO1 (0.48) IDO1HDAC4FFAR2FPR2P2RX7
SCHEMBL17796436 0.75 IDO1 (0.48) IDO1HDAC4FFAR2FPR2P2RX7

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 5 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
EP-2619197-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-07-31 EP 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 IDO1 224/4885HDAC4 3488/4885FFAR2 329/4885

“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.