SCHEMBL1304437

SCHEMBL1304437

Cc1ccc(/C=N\O)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 5/20 0.44
NPFFR1 Q9GZQ6 3/20 0.42
NPFFR2 Q9Y5X5 3/20 0.42
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 3/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 3/20 0.40
ACHE P22303 1/20 0.39
POLB P06746 3/20 0.39
PKM P14618 1/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL2726909 1.00 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL1304439 1.00 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL648157 0.86 ALDH1A1 (0.46) SMN1; SMN2RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL111119 0.86 ALDH1A1 (0.46) SMN1; SMN2RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL113975 0.86 ALDH1A1 (0.46) SMN1; SMN2RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL9351222 0.83 NPFFR1 (0.58) SMN1; SMN2RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL9351215 0.83 NPFFR1 (0.58) SMN1; SMN2RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL2166114 0.83 ALDH1A1 (0.50) SMN1; SMN2RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL1937076 0.83 ALDH1A1 (0.50) SMN1; SMN2RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL1937074 0.83 ALDH1A1 (0.50) SMN1; SMN2RAB9AALDH1A1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170304299-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS LUPIN LTD (IN) 2017-10-26 US disclosed
US-9737534-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2017-08-22 US disclosed
US-20160022673-A1 OXAZOLE AND ISOXAZOLE CRAC MODULATORS LUPIN LIMITED (IN) 2016-01-28 US disclosed
US-9169242-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2015-10-27 US disclosed
US-20130225600-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS LUPIN LIMITED (IN) 2013-08-29 US disclosed
US-8053452-B2 Substituted isoxazoline or enone oxime compound, and pest control agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-11-08 US disclosed
US-20100144808-A1 SUBSTITUTED ISOXAZOLINE OR ENONE OXIME COMPOUND, AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-10 US disclosed
EP-2172448-A1 SUBSTITUTED ISOXAZOLINE OR ENONE OXIME COMPOUND, AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2010-04-07 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-20160022673-A1 OXAZOLE AND ISOXAZOLE CRAC MODULATORS RYR2, RYR1, GABRR1 SMN1; SMN2 1083/4885RAB9A 3236/4885ALDH1A1 580/4885
US-20170304299-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS RYR2, ADRA2C, RYR1 SMN1; SMN2 856/4885RAB9A 3278/4885ALDH1A1 607/4885
US-20130225600-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS RYR2, ADRA2C, RYR1 SMN1; SMN2 856/4885RAB9A 3278/4885ALDH1A1 607/4885
US-20100144808-A1 SUBSTITUTED ISOXAZOLINE OR ENONE OXIME COMPOUND, AND PEST CONTROL AGENT MLYCD, MT-CO2, TRHDE SMN1; SMN2 1380/4885RAB9A 1242/4885ALDH1A1 2761/4885

“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.