SCHEMBL1647572

SCHEMBL1647572

CC(=O)c1cnc(N)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
TP53 P04637 1/20 0.50
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
NNMT P40261 1/20 0.40

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
SCHEMBL13160131 0.77 CA5A (0.44) HDAC1HDAC6SMN1; SMN2KCNJ1MAPT
SCHEMBL3141529 0.77 NNMT (0.58) HDAC1HDAC6GABRPGABRDGABRA1
SCHEMBL29131391 0.77 KCNJ1 (0.39) HDAC1HDAC6SMN1; SMN2KCNJ1NPC1
SCHEMBL186175 0.77 GABRP (0.58) HDAC1HDAC6TP53GABRPGABRD
SCHEMBL2175856 0.77 KCNJ1 (0.39) HDAC1HDAC6SMN1; SMN2TSHRKCNJ1
SCHEMBL31497513 0.75 HDAC1 (0.56) HDAC1HDAC6TP53GABRPGABRD
SCHEMBL3718941 0.75 KCNJ1 (0.38) HDAC1HDAC6SMN1; SMN2KCNJ1NPC1
SCHEMBL600134 0.75 NAPRT (0.40) SMN1; SMN2KCNJ1NPC1MAPTRAB9A
SCHEMBL12819389 0.75 HDAC1 (0.45) HDAC1HDAC6TP53GABRPGABRD
SCHEMBL7993712 0.75 CA5A (0.42) TSHRKCNJ1MAPTRAB9ACA5A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140072529-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE SALTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-13 US disclosed
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 US disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
US-6638942-B1 Useful in the treatment of obesity and the complications associated therewith. MERCK & CO., INC. 2003-10-28 US disclosed
EP-1129089-A4 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-22 EP disclosed
US-6495559-B2 FOR THERAPY OF OBESITY MERCK & CO., INC. 2002-12-17 US disclosed
US-20020058813-A1 Spiro-indolines as Y5 receptor antagonists MSD K.K. (JP) 2002-05-16 US disclosed
CN-1321094-A Bone repair materials/artificial bone compositions TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-07 CN disclosed
US-6313298-B1 OBESITY, DIETETICS; NEUROPEPTIDE Y ANTAGONISTS MERCK & CO., INC. 2001-11-06 US disclosed
EP-1129089-A1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2001-09-05 EP disclosed
US-6191160-B1 DIETETICS MERCK & CO., INC. 2001-02-20 US disclosed
WO-2000027845-A1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 WO disclosed
EP-0325131-A2 Pyrimidine derivatives as performance stimulating agents BAYER AG (DE) 1989-07-26 EP 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 (4 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-20020058813-A1 Spiro-indolines as Y5 receptor antagonists NPY5R, NPY1R, NPY2R HDAC1 1985/4885HDAC6 2105/4885TP53 4703/4885
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 HDAC1 1044/4885HDAC6 591/4885TP53 1826/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 HDAC1 187/4885HDAC6 208/4885TP53 3335/4885
US-20140072529-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE SALTS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, VHL, KRAS HDAC1 729/4885HDAC6 571/4885TP53 6/4885

“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.