SCHEMBL4003518

SCHEMBL4003518

O=C(OCc1ccccc1)N1CCN(c2ccc(Br)cn2)C(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C19 P33261 1/20 0.41
GRIN2B Q13224 3/20 0.41
DHFR P00374 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CYP3A4 P08684 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
SCHEMBL4750456 0.88 HDAC1 (0.50) HDAC1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL17226277 0.87 HDAC1 (0.47) HDAC1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL4807388 0.85 MAPT (0.47) HDAC1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL4743828 0.84 GRIN2B (0.49) HDAC1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL6478335 0.83 HDAC1 (0.61) HDAC1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL6323472 0.83 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL19994344 0.82 MEN1 (0.45) HDAC1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL17841666 0.80 AKR1C3 (0.47) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5836154 0.79 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4004864 0.79 GRIN2B (0.48) HDAC1MEN1KMT2ANPSR1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416144-B2 Benzoxazine oxazolidinone compound, preparation method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-08-16 US disclosed
US-9416144-B2 Benzoxazine oxazolidinone compound, preparation method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-08-16 US disclosed
US-20150336984-A1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-11-26 US disclosed
US-20150336984-A1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-11-26 US disclosed
EP-2940024-A1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2015-11-04 EP disclosed
WO-2014101765-A1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF 中国科学院上海药物研究所 (CN) 2014-07-03 WO disclosed
WO-2009078992-A1 LINEAR TRICYCLIC COMPOUNDS AS P38 KINASE INHIBITORS AMGEN INC. (US) 2009-06-25 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 (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-20150336984-A1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF OXA1L, XDH, MYD88 HDAC1 1507/4885MEN1 3077/4885KMT2A 4024/4885

“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.