SCHEMBL2097679

SCHEMBL2097679

COCC(=O)NC1CCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 1.00
HPGD P15428 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 2/20 0.55
EPHX1 P07099 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
EPHX2 P34913 1/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL2091358 1.00 NPSR1 (1.00) NPSR1HPGDALDH1A1KMT2AEPHX1
SCHEMBL1698336 1.00 NPSR1 (1.00) NPSR1HPGDALDH1A1KMT2AEPHX1
SCHEMBL2091865 0.98 NPSR1 (0.96) NPSR1HPGDALDH1A1KMT2AEPHX1
SCHEMBL2092328 0.94 NPSR1 (0.89) NPSR1HPGDALDH1A1KMT2AEPHX1
SCHEMBL2090052 0.90
SCHEMBL17740984 0.84 NPSR1 (0.72) NPSR1HPGDALDH1A1KMT2AEPHX1
Carbamic Acid SCHEMBL11200157 0.82 NPSR1 (0.70) NPSR1HPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL14492244 0.82 NPSR1 (0.70) NPSR1ALDH1A1KMT2AEPHX1SMN1; SMN2
SCHEMBL22651967 0.82 NPSR1 (0.70) NPSR1HPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL13130101 0.82 NPSR1 (0.70) NPSR1HPGDALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355735-A1 CONJUGATED KNOTTIN MINI-PROTEINS CONTAINING NON-NATURAL AMINO ACIDS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-12-14 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (2 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-20170355735-A1 CONJUGATED KNOTTIN MINI-PROTEINS CONTAINING NON-NATURAL AMINO ACIDS ECPAS, ATRIP, ANPEP NPSR1 3984/4885HPGD 4195/4885ALDH1A1 3512/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 NPSR1 202/4885HPGD 1951/4885ALDH1A1 412/4885

“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.