Sugi Predict

Sugi Predict / Compounds / SCHEMBL9966409

SCHEMBL9966409

SCHEMBL9966409

Nc1ncc(-c2ccc(C3(C(=O)Nc4ccccc4)CCC3)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.56
▸ LMNA P02545 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ GAA P10253 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ ALOX5AP P20292 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ IDO1 P14902 2/20 0.46

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
SCHEMBL14315175 0.90 HDAC1 (0.52) HDAC1LMNANPSR1GAAALOX5AP
SCHEMBL9966281 0.89 LMNA (0.60) HDAC1LMNANPSR1ALDH1A1ALOX5AP
SCHEMBL9966188 0.89 ALDH1A1 (0.65) HDAC1LMNANPSR1GAAALDH1A1
SCHEMBL14244265 0.88 ALDH1A1 (0.54) HDAC1LMNANPSR1ALDH1A1ALOX5AP
SCHEMBL9936407 0.87 LMNA (0.63) HDAC1LMNANPSR1GAAALDH1A1
SCHEMBL9966435 0.86 LMNA (0.59) HDAC1LMNANPSR1ALDH1A1HDAC3
SCHEMBL14315754 0.86 IDO1 (0.46) HDAC1LMNANPSR1ALDH1A1ALOX5AP
SCHEMBL9966401 0.85 HDAC1 (0.48) HDAC1LMNANPSR1ALDH1A1ALOX5AP
SCHEMBL9966321 0.85 HDAC1 (0.46) HDAC1LMNANPSR1GAAALOX5AP
SCHEMBL9966254 0.85 ALDH1A1 (0.66) HDAC1LMNANPSR1GAAALDH1A1

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 HDAC1 1448/4885LMNA 351/4885NPSR1 716/4885

“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.