Barbital

Barbital

SCHEMBL1650197

CC(C)(C)c1c(N)nc(N)nc1N.CCC1(CC)C(=O)NC(=O)NC1=O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TP53 P04637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
Barbital SCHEMBL1649158 0.76 LMNA (0.50) LMNAALDH1A1TP53
SCHEMBL6013386 0.73 L3MBTL1 (0.38) L3MBTL1HSD17B10
Barbital SCHEMBL3859278 0.73 LMNA (1.00) LMNAALDH1A1TP53HSD17B10
Barbital SCHEMBL43818 0.73 LMNA (1.00) LMNAALDH1A1TP53HSD17B10
Barbital SCHEMBL1649494 0.72 CDK1 (0.68) LMNA
Barbital SCHEMBL23533431 0.71 LMNA (0.94) LMNAALDH1A1TP53HSD17B10
Barbital SCHEMBL11319317 0.71 LMNA (0.94) LMNAALDH1A1TP53HSD17B10
Barbital SCHEMBL21084914 0.71 LMNA (0.94) LMNAALDH1A1TP53HSD17B10
Barbital SCHEMBL21084955 0.71 LMNA (0.94) LMNAALDH1A1TP53HSD17B10
Barbital SCHEMBL2128102 0.71 LMNA (0.94) LMNAALDH1A1TP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608339-B8 PHARMACEUTICAL CO-CRYSTAL OF CELECOXIB-NICOTINAMIDE MCNEIL PPC INC (US) 2012-04-25 — — EP claimed
US-20070026078-A1 Pharmaceutical co-crystal compositions TRANSFORM PHARMACEUTICALS, INC. (US) 2007-02-01 — — US claimed
EP-1631260-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2006-03-08 — — EP claimed
EP-1608339-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2005-12-28 — — EP claimed
WO-2004078161-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPTINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 — — WO claimed
WO-2004078163-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 — — WO claimed
EP-1608339-B8 PHARMACEUTICAL CO-CRYSTAL OF CELECOXIB-NICOTINAMIDE MCNEIL PPC INC (US) 2012-04-25 — — EP disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 — — US disclosed
US-20100311701-A1 Pharmaceutical Co-Crystal Compositions TRANSFORM PHARMACEUTICALS, INC (US) 2010-12-09 — — US disclosed
US-20070059356-A1 Pharmaceutical co-crystal compositions of drugs such as carbamazepine, celecoxib, olanzapine, itraconazole, topiramate, modafinil, 5-fluorouracil, hydrochlorothiazide, acetaminophen, aspirin, flurbiprofen, phenytoin and ibuprofen REGENTS OF THE UNIVERSITY OF MICHIGAN, THE 2007-03-15 — — US disclosed
US-20070026078-A1 Pharmaceutical co-crystal compositions TRANSFORM PHARMACEUTICALS, INC. (US) 2007-02-01 — — US disclosed
EP-1631260-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2006-03-08 — — EP disclosed
EP-1608339-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2005-12-28 — — EP disclosed
WO-2004078161-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPTINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 — — WO disclosed
WO-2004078163-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 — — WO disclosed
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