SCHEMBL9966398

SCHEMBL9966398

Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(N5CCOCC5)c(Cl)c4)CCOCC3)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.49
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
HTT P42858 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 8/20 0.47
MAPK1 P28482 2/20 0.47
MAP4K4 O95819 1/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 4/20 0.46
NPC1 O15118 3/20 0.46
TSHR P16473 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NPY2R P49146 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL9966293 0.95 LMNA (0.56) LMNAALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL14314003 0.92 LMNA (0.44) LMNAALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL9966203 0.89 HDAC1 (0.55) LMNAL3MBTL1TP53MAPTMAP4K4
SCHEMBL14315771 0.88 MAP4K4 (0.50) LMNAL3MBTL1TP53MAPTMAP4K4
SCHEMBL9966228 0.87 LMNA (0.60) LMNAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL9966481 0.84 MAP4K4 (0.48) LMNAL3MBTL1MAPTMAP4K4RAB9A
SCHEMBL9966200 0.84 LMNA (0.58) LMNAALDH1A1SMN1; SMN2KMT2ATP53
SCHEMBL9966285 0.84 MAP4K4 (0.48) LMNATP53MAPTMAP4K4RAB9A
SCHEMBL9966436 0.83 MAP4K4 (0.53) LMNAALDH1A1L3MBTL1MAPTMAP4K4
SCHEMBL9966288 0.82 LMNA (0.67) LMNAALDH1A1SMN1; SMN2MAPTRAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
EP-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S LMNA 351/4885ALDH1A1 681/4885SMN1; SMN2 4543/4885

“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.