SCHEMBL1337737

SCHEMBL1337737

O=C(NCCBr)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.61
LMNA P02545 2/20 0.61
POLB P06746 1/20 0.61
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
EPHX2 P34913 1/20 0.59
PRSS1 P07477 1/20 0.59
CTSG P08311 1/20 0.59
CTRB1 P17538 1/20 0.59
CMA1 P23946 1/20 0.59
HPGD P15428 2/20 0.58
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58

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
Bromide SCHEMBL11793652 0.98 GAA (0.61) GAASMN1; SMN2LMNAPOLBNPC1
SCHEMBL6170086 0.88 NPC1 (0.66) GAASMN1; SMN2LMNAPOLBNPC1
SCHEMBL3192014 0.87 LMNA (0.77) GAASMN1; SMN2LMNAPOLBNPC1
SCHEMBL9861012 0.86 HDAC1 (0.72) GAASMN1; SMN2LMNAPOLBNPC1
SCHEMBL9491686 0.83 NPC1 (0.75) GAASMN1; SMN2LMNAPOLBNPC1
SCHEMBL8779817 0.83 HDAC1 (0.79) GAASMN1; SMN2LMNAPOLBNPC1
SCHEMBL2588306 0.83 GAA (0.68) GAASMN1; SMN2LMNAPOLBNPC1
SCHEMBL18689914 0.81 LMNA (0.69) GAASMN1; SMN2LMNAPOLBNPC1
SCHEMBL20734829 0.81 HDAC1 (0.82) GAASMN1; SMN2LMNAPOLBNPC1
SCHEMBL604217 0.81 GAA (0.65) GAASMN1; SMN2LMNAPOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063205-B2 Method for producing 2-oxazoline analogue or 1,3-oxazine analogue NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-22 US disclosed
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-11-12 US disclosed
EP-1956012-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE National University Corporation Hokkaido University (JP) 2008-08-13 EP disclosed
EP-0292006-B1 AMINOETHYLCYSTEINE DERIVATIVES Sanraku Incorporated (JP) 1991-08-21 EP disclosed
US-4853407-A Aminoethylcysteine derivatives SANRAKU INCORPORATED (JP) 1989-08-01 US disclosed
EP-0292006-A1 Aminoethylcysteine derivatives Sanraku Incorporated (JP) 1988-11-23 EP disclosed
EP-0151449-B1 PROCESS FOR THE PRODUCTION OF FLUORINE CONTAINING N-(BETA-BROMOETHYL)AMIDE AND OF 2-(PERFLUOROALKYL)-1,3-OXAZOLINE ASAHI GLASS COMPANY LTD. (JP) 1988-04-20 EP disclosed
EP-0104614-B1 PHENYLPIPERAZINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Chugai Seiyaku Kabushiki Kaisha (JP) 1986-12-30 EP disclosed
US-4560686-A Method for treating circulatory diseases by using (2-lower alkoxyphenyl)piperazine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1985-12-24 US disclosed
EP-0090063-B1 PROCESS FOR MAKING N-(2-AMINOETHYL)AMIDES FROM OXAZOLINES AND AMINES THE DOW CHEMICAL COMPANY (US) 1985-09-11 EP disclosed
EP-0151449-A2 Process for the production of fluorine containing N-(beta-bromoethyl)amide and of 2-(perfluoroalkyl)-1,3-oxazoline ASAHI GLASS COMPANY LTD. (JP) 1985-08-14 EP disclosed
EP-0090063-A1 Process for making N-(2-aminoethyl)amides from oxazolines and amines THE DOW CHEMICAL COMPANY (US) 1983-10-05 EP disclosed
US-4326067-A FROM OXAZOLINE WITH AN AMINE THE DOW CHEMICAL COMPANY (US) 1982-04-20 US disclosed
US-3988341-A Esterification process MERCK & CO., INC. (US) 1976-10-26 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-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE OXA1L, SULT1A1, DAO GAA 4358/4885SMN1; SMN2 3368/4885LMNA 4507/4885

“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.