SCHEMBL1937076

SCHEMBL1937076

Cc1ccc(C=NO)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 2/20 0.42
KMT2A Q03164 5/20 0.42
ACHE P22303 1/20 0.42
TUBB1 Q9H4B7 3/20 0.42
HTT P42858 3/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
FGF23 Q9GZV9 1/20 0.39
LMNA P02545 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
SCHEMBL2166114 1.00 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1GAAKMT2A
SCHEMBL1937074 1.00 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1GAAKMT2A
SCHEMBL28765452 0.83 L3MBTL1 (0.47) ALDH1A1KDM4EL3MBTL1GAAKMT2A
SCHEMBL2726909 0.83 SMN1; SMN2 (0.47) ALDH1A1KDM4EL3MBTL1GAAKMT2A
SCHEMBL1304439 0.83 SMN1; SMN2 (0.47) ALDH1A1KDM4EL3MBTL1GAAKMT2A
SCHEMBL17548931 0.83 L3MBTL1 (0.47) ALDH1A1KDM4EL3MBTL1GAAKMT2A
SCHEMBL1304437 0.83 SMN1; SMN2 (0.47) ALDH1A1KDM4EL3MBTL1GAAKMT2A
SCHEMBL11744106 0.81 NPC1 (0.54) ALDH1A1L3MBTL1KMT2ATUBB1MEN1
SCHEMBL737915 0.81 KDM4E (0.46) ALDH1A1KDM4EL3MBTL1GAAKMT2A
SCHEMBL2164812 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EL3MBTL1GAAKMT2A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10292981-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2019-05-21 US disclosed
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
EP-3067347-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS Lupin Limited (IN) 2016-09-14 EP disclosed
CN-105566311-A Oxazole and isoxazole crac modulators LUPIN LTD 2016-05-11 CN disclosed
CN-103228636-B Calcium modulators of oxazole and isoxazole calcium release activation LUPIN LTD. (IN) 2016-02-10 CN disclosed
US-20160022673-A1 OXAZOLE AND ISOXAZOLE CRAC MODULATORS LUPIN LIMITED (IN) 2016-01-28 US disclosed
US-9216973-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-12-22 US disclosed
US-9169242-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2015-10-27 US disclosed
CN-102131804-B Insecticidal compounds SYNGENTA PARTICIPATIONS AG 2014-12-03 CN disclosed
EP-1917269-B1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMA (US) 2011-10-26 EP disclosed
EP-2366704-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-21 EP disclosed
EP-2364984-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 EP disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
CN-102131804-A Insecticidal compounds SYNGENTA PARTICIPATIONS AG 2011-07-20 CN disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
EP-2331536-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2011-06-15 EP disclosed
WO-2010020522-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-02-25 WO disclosed
US-20090048247-A1 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE - IV RANBAXY LABORATORIES LIMITED (IN) 2009-02-19 US disclosed
CN-101316852-A Inhibitors of serine proteases VERTEX PHARMA (US) 2008-12-03 CN 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 (5 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 ALDH1A1 580/4885KDM4E 4286/4885L3MBTL1 4848/4885
US-20090048247-A1 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE - IV PDE3B, PDE4A, PDE3A ALDH1A1 894/4885KDM4E 2552/4885L3MBTL1 4823/4885
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 ALDH1A1 1374/4885KDM4E 2603/4885L3MBTL1 3011/4885
US-10292981-B2 Oxazoline and isoxazoline derivatives as CRAC modulators RYR2, RYR1, ADRA2C ALDH1A1 655/4885KDM4E 3976/4885L3MBTL1 4852/4885
US-20170304299-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS RYR2, ADRA2C, RYR1 ALDH1A1 607/4885KDM4E 3964/4885L3MBTL1 4854/4885

“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.