SCHEMBL7380412

SCHEMBL7380412

CCCCCN(CCCCC)C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA9 Q16790 3/20 0.48
CA2 P00918 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP8 P22894 1/20 0.45
TP53 P04637 1/20 0.44
MGLL Q99685 1/20 0.42
ZDHHC20 Q5W0Z9 2/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
CES2 O00748 4/20 0.40
CES1 P23141 4/20 0.40
DNM1 Q05193 3/20 0.40
AKR1B1 P15121 1/20 0.39

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
SCHEMBL14244845 0.98 CA12 (0.50) CA12CA1CA9CA2ALDH1A1
SCHEMBL11883049 0.98 CA12 (0.50) CA12CA1CA9CA2ALDH1A1
SCHEMBL11589764 0.98 CA12 (0.50) CA12CA1CA9CA2ALDH1A1
SCHEMBL8627810 0.98 CA12 (0.50) CA12CA1CA9CA2ALDH1A1
SCHEMBL14245075 0.98 CA12 (0.50) CA12CA1CA9CA2ALDH1A1
SCHEMBL8681098 0.98 CA12 (0.50) CA12CA1CA9CA2ALDH1A1
SCHEMBL1920702 0.98 CA12 (0.50) CA12CA1CA9CA2ALDH1A1
SCHEMBL1920829 0.98 CA12 (0.50) CA12CA1CA9CA2ALDH1A1
SCHEMBL417141 0.92 CA12 (0.56) CA12CA1CA9CA2ALDH1A1
SCHEMBL11239445 0.89 MGLL (0.52) CA12CA1CA9CA2ALDH1A1

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-0052842-B1 N,N-DIARYL CARBAMOYL FLUORIDES, PROCESS FOR PREPARING THEM AND THEIR USE IN THE PREPARATION OF UREAS, AND THE UREAS OBTAINED THEREBY BAYER AG (DE) 1985-09-18 EP claimed
EP-2537839-B1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL IND LTD (JP) 2016-12-14 EP disclosed
US-9212174-B2 Certain β-dihydrofuran derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-15 US disclosed
EP-2537839-A1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF Nissan Chemical Industries, Ltd. (JP) 2012-12-26 EP disclosed
US-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-20 US disclosed
US-5843983-A Diphenylethane compounds containing a saturated heterocyclic group, their preparation, and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1998-12-01 US disclosed
US-5556864-A TREATMENT OF CIRCULATORY DISEASES AND PSYCHOSIS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
WO-1995000498-A1 N,N-DIACYLPIPERAZINES MERCK & CO., INC. (US) 1995-01-05 WO disclosed
US-5348955-A Angiotensis II antagonists MERCK & CO., INC. (US) 1994-09-20 US disclosed
US-5344830-A Anitinflammatory, cardiovascular, analgesic, central nervous system MERCK & CO., INC. (US) 1994-09-06 US disclosed
WO-1994013646-A1 N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-06-23 WO disclosed
US-5292726-A N,N-diacylpiperazines MERCK & CO., INC. (US) 1994-03-08 US disclosed
WO-1992020661-A1 N, N-DIACYLPIPERAZINES MERCK & CO., INC. (US) 1992-11-26 WO disclosed
US-4101571-A REACTING SULFAMIC ACIDS WITH PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 1978-07-18 US disclosed
US-4080360-A LACTAM DERIVATIVES BASF AKTIENGESELLSCHAFT (DT) 1978-03-21 US 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-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF DHPS, B4GALT1, STT3A CA12 929/4885CA1 1826/4885CA9 751/4885

“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.